CID 3072981

145278-91-7

Structural Information

Molecular Formula
C19H30Cl2N4O3P
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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.14325 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.15053 198.2
[M+Na]+ 486.13247 209.0
[M+NH4]+ 481.17707 206.8
[M+K]+ 502.10641 200.0
[M-H]- 462.13597 202.3
[M+Na-2H]- 484.11792 206.7
[M]+ 463.14270 201.8
[M]- 463.14380 201.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.