CID 3775456

142943-95-1

Structural Information

Molecular Formula
C19H16N4
SMILES
C1=CC=C(C=C1)C(NC2=CC=CC=C2)N3C4=CC=CC=C4N=N3
InChI
InChI=1S/C19H16N4/c1-3-9-15(10-4-1)19(20-16-11-5-2-6-12-16)23-18-14-8-7-13-17(18)21-22-23/h1-14,19-20H
InChIKey
YMTDQMJMCNVZCM-UHFFFAOYSA-N
Compound name
N-[benzotriazol-1-yl(phenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.13748 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14476 167.8
[M+Na]+ 323.12670 175.6
[M-H]- 299.13020 174.6
[M+NH4]+ 318.17130 180.3
[M+K]+ 339.10064 168.7
[M+H-H2O]+ 283.13474 156.5
[M+HCOO]- 345.13568 189.6
[M+CH3COO]- 359.15133 178.6
[M+Na-2H]- 321.11215 175.7
[M]+ 300.13693 167.5
[M]- 300.13803 167.5
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.