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]+ 330.134936 174.6
[M+Na]+ 352.116878 182.1
[M-H]- 328.120384 180.3
[M+NH4]+ 347.161483 184.3
[M+K]+ 368.090818 175.6
[M+H-H2O]+ 312.124920 162.6
[M+HCOO]- 374.125861 194.4
[M+CH3COO]- 388.141511 184.3
[M+Na-2H]- 350.102326 181.6
[M]+ 329.12711142 174.7
[M]- 329.12820858 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