PubChemLite - 74088-49-6 (C23H28ClFN4O3)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCN(CC(=O)NC(=O)CN)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2F

InChI

InChI=1S/C23H28ClFN4O3/c1-3-28(4-2)11-12-29(15-22(31)27-21(30)14-26)20-10-9-16(24)13-18(20)23(32)17-7-5-6-8-19(17)25/h5-10,13H,3-4,11-12,14-15,26H2,1-2H3,(H,27,30,31)

InChIKey

XPOTXTBVFCACTM-UHFFFAOYSA-N

Compound name

2-amino-N-[2-[4-chloro-N-[2-(diethylamino)ethyl]-2-(2-fluorobenzoyl)anilino]acetyl]acetamide

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]+	463.19068	214.0
[M+Na]+	485.17262	216.9
[M-H]-	461.17612	220.6
[M+NH4]+	480.21722	222.7
[M+K]+	501.14656	213.5
[M+H-H2O]+	445.18066	203.7
[M+HCOO]-	507.18160	232.5
[M+CH3COO]-	521.19725	249.9
[M+Na-2H]-	483.15807	209.8
[M]+	462.18285	217.8
[M]-	462.18395	217.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.19068

214.0

[M+Na]+

485.17262

216.9

[M-H]-

461.17612

220.6

[M+NH4]+

480.21722

222.7

[M+K]+

501.14656

213.5

[M+H-H2O]+

445.18066

203.7

[M+HCOO]-

507.18160

232.5

[M+CH3COO]-

521.19725

249.9

[M+Na-2H]-

483.15807

209.8

[M]+

462.18285

217.8

[M]-

462.18395

217.8

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

74088-49-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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