CID 6909532

Niazid 4acnphch

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CC(=O)NC1=CC=C(C=C1)/C=N/NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C15H14N4O2/c1-11(20)18-14-6-4-12(5-7-14)9-17-19-15(21)13-3-2-8-16-10-13/h2-10H,1H3,(H,18,20)(H,19,21)/b17-9+
InChIKey
VYKMDAMZGBOXTL-RQZCQDPDSA-N
Compound name
N-[(E)-(4-acetamidophenyl)methylideneamino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.11166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11894 164.0
[M+Na]+ 305.10088 169.3
[M-H]- 281.10438 170.6
[M+NH4]+ 300.14548 177.7
[M+K]+ 321.07482 166.2
[M+H-H2O]+ 265.10892 154.3
[M+HCOO]- 327.10986 190.4
[M+CH3COO]- 341.12551 207.8
[M+Na-2H]- 303.08633 170.4
[M]+ 282.11111 163.3
[M]- 282.11221 163.3
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.