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]+ 345.11128 180.9
[M+Na]+ 367.09322 186.6
[M-H]- 343.09672 187.4
[M+NH4]+ 362.13782 193.1
[M+K]+ 383.06716 182.0
[M+H-H2O]+ 327.10126 171.9
[M+HCOO]- 389.10220 201.0
[M+CH3COO]- 403.11785 219.5
[M+Na-2H]- 365.07867 183.7
[M]+ 344.10345 183.1
[M]- 344.10455 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.