PubChemLite - 145278-91-7 (C19H30Cl2N4O3P)

Structural Information

Molecular Formula

SMILES

CC1(CC(=NNP(=O)(N(CCCl)CCCl)OC2=CC=CC=C2)CC([N+]1=O)(C)C)C

InChI

InChI=1S/C19H30Cl2N4O3P/c1-18(2)14-16(15-19(3,4)25(18)26)22-23-29(27,24(12-10-20)13-11-21)28-17-8-6-5-7-9-17/h5-9H,10-15H2,1-4H3,(H,23,27)/q+1

InChIKey

FMBJOPAECRMIJF-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-chloroethyl)-N-[phenoxy-[2-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydrazinyl]phosphoryl]ethanamine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	464.15053	198.7
[M+Na]+	486.13247	203.5
[M-H]-	462.13597	204.3
[M+NH4]+	481.17707	211.8
[M+K]+	502.10641	194.8
[M+H-H2O]+	446.14051	192.7
[M+HCOO]-	508.14145	215.7
[M+CH3COO]-	522.15710	234.2
[M+Na-2H]-	484.11792	203.3
[M]+	463.14270	203.4
[M]-	463.14380	203.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.15053

198.7

[M+Na]+

486.13247

203.5

[M-H]-

462.13597

204.3

[M+NH4]+

481.17707

211.8

[M+K]+

502.10641

194.8

[M+H-H2O]+

446.14051

192.7

[M+HCOO]-

508.14145

215.7

[M+CH3COO]-

522.15710

234.2

[M+Na-2H]-

484.11792

203.3

[M]+

463.14270

203.4

[M]-

463.14380

203.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

145278-91-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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