CID 22596384

N-(5-chloro-pyridin-2-yl)-2-(4-cyano-benzoyl-amino)-5-methoxy-benzamide hydrochloride

Structural Information

Molecular Formula
C21H15ClN4O3
SMILES
COC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C#N)C(=O)NC3=NC=C(C=C3)Cl
InChI
InChI=1S/C21H15ClN4O3/c1-29-16-7-8-18(25-20(27)14-4-2-13(11-23)3-5-14)17(10-16)21(28)26-19-9-6-15(22)12-24-19/h2-10,12H,1H3,(H,25,27)(H,24,26,28)
InChIKey
LXFSCSJMDZZGDN-UHFFFAOYSA-N
Compound name
N-(5-chloropyridin-2-yl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

406.08328 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.09056 201.3
[M+Na]+ 429.07250 210.4
[M-H]- 405.07600 207.0
[M+NH4]+ 424.11710 208.8
[M+K]+ 445.04644 202.7
[M+H-H2O]+ 389.08054 184.8
[M+HCOO]- 451.08148 215.7
[M+CH3COO]- 465.09713 233.7
[M+Na-2H]- 427.05795 202.0
[M]+ 406.08273 198.4
[M]- 406.08383 198.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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