CID 9554947

Nsc211421

Structural Information

Molecular Formula
C16H17N3O
SMILES
CC(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C16H17N3O/c1-12(2)14-5-3-13(4-6-14)11-18-19-16(20)15-7-9-17-10-8-15/h3-12H,1-2H3,(H,19,20)/b18-11+
InChIKey
DQCYGHZYQXQFRU-WOJGMQOQSA-N
Compound name
N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

267.13718 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.144456 163.1
[M+Na]+ 290.126398 168.5
[M-H]- 266.129904 169.4
[M+NH4]+ 285.171003 177.8
[M+K]+ 306.100338 165.1
[M+H-H2O]+ 250.134440 153.7
[M+HCOO]- 312.135381 187.6
[M+CH3COO]- 326.151031 204.9
[M+Na-2H]- 288.111846 168.3
[M]+ 267.13663142 162.8
[M]- 267.13772858 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe