CID 71234

Nicaraven

Structural Information

Molecular Formula
C15H16N4O2
SMILES
CC(CNC(=O)C1=CN=CC=C1)NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C15H16N4O2/c1-11(19-15(21)13-5-3-7-17-10-13)8-18-14(20)12-4-2-6-16-9-12/h2-7,9-11H,8H2,1H3,(H,18,20)(H,19,21)
InChIKey
KTXBOOWDLPUROC-UHFFFAOYSA-N
Compound name
N-[2-(pyridine-3-carbonylamino)propyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

47
References

488
Patents

284.12732 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13460 165.4
[M+Na]+ 307.11654 169.5
[M-H]- 283.12004 168.9
[M+NH4]+ 302.16114 176.9
[M+K]+ 323.09048 166.4
[M+H-H2O]+ 267.12458 155.4
[M+HCOO]- 329.12552 186.7
[M+CH3COO]- 343.14117 204.1
[M+Na-2H]- 305.10199 170.7
[M]+ 284.12677 163.8
[M]- 284.12787 163.8
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