CID 9571665

Nsc641858

Structural Information

Molecular Formula
C17H17ClN4O2
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C/C(=N/NC(=O)C2=CC=NC=C2)/C
InChI
InChI=1S/C17H17ClN4O2/c1-11(21-22-17(24)13-6-8-19-9-7-13)10-16(23)20-15-5-3-4-14(18)12(15)2/h3-9H,10H2,1-2H3,(H,20,23)(H,22,24)/b21-11+
InChIKey
VVHPEDACSPTYLO-SRZZPIQSSA-N
Compound name
N-[(E)-[4-(3-chloro-2-methylanilino)-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.104 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.111276 180.9
[M+Na]+ 367.093218 186.6
[M-H]- 343.096724 187.4
[M+NH4]+ 362.137823 193.1
[M+K]+ 383.067158 182.0
[M+H-H2O]+ 327.101260 171.9
[M+HCOO]- 389.102201 201.0
[M+CH3COO]- 403.117851 219.5
[M+Na-2H]- 365.078666 183.7
[M]+ 344.10345142 183.1
[M]- 344.10454858 183.1
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.