CID 5871939

N-[(z)-(1-acetylindol-3-yl)methyleneamino]pyridine-4-carboxamide

Structural Information

Molecular Formula
C17H14N4O2
SMILES
CC(=O)N1C=C(C2=CC=CC=C21)/C=N\NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C17H14N4O2/c1-12(22)21-11-14(15-4-2-3-5-16(15)21)10-19-20-17(23)13-6-8-18-9-7-13/h2-11H,1H3,(H,20,23)/b19-10-
InChIKey
RNSBUXQXCSIXJZ-GRSHGNNSSA-N
Compound name
N-[(Z)-(1-acetylindol-3-yl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.11166 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11894 169.8
[M+Na]+ 329.10088 178.0
[M-H]- 305.10438 176.8
[M+NH4]+ 324.14548 184.5
[M+K]+ 345.07482 173.6
[M+H-H2O]+ 289.10892 160.0
[M+HCOO]- 351.10986 195.1
[M+CH3COO]- 365.12551 209.8
[M+Na-2H]- 327.08633 175.6
[M]+ 306.11111 172.4
[M]- 306.11221 172.4
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.