CID 4556939

138768-28-2

Structural Information

Molecular Formula
C19H15N5O
SMILES
C1=CC=C(C=C1)C(NC(=O)C2=CN=CC=C2)N3C4=CC=CC=C4N=N3
InChI
InChI=1S/C19H15N5O/c25-19(15-9-6-12-20-13-15)21-18(14-7-2-1-3-8-14)24-17-11-5-4-10-16(17)22-23-24/h1-13,18H,(H,21,25)
InChIKey
BABUDAQOHSIBJR-UHFFFAOYSA-N
Compound name
N-[benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

329.12766 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13494 174.6
[M+Na]+ 352.11688 182.1
[M-H]- 328.12038 180.3
[M+NH4]+ 347.16148 184.3
[M+K]+ 368.09082 175.6
[M+H-H2O]+ 312.12492 162.6
[M+HCOO]- 374.12586 194.4
[M+CH3COO]- 388.14151 184.3
[M+Na-2H]- 350.10233 181.6
[M]+ 329.12711 174.7
[M]- 329.12821 174.7
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

patents stripe