CID 830264

N-(1h-benzotriazol-1-ylmethyl)biphenyl-2-amine

Structural Information

Molecular Formula
C19H16N4
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2NCN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C19H16N4/c1-2-8-15(9-3-1)16-10-4-5-11-17(16)20-14-23-19-13-7-6-12-18(19)21-22-23/h1-13,20H,14H2
InChIKey
MMGJACDDPHZDHZ-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-2-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.13748 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14476 168.6
[M+Na]+ 323.12670 177.7
[M-H]- 299.13020 175.6
[M+NH4]+ 318.17130 181.5
[M+K]+ 339.10064 170.2
[M+H-H2O]+ 283.13474 157.3
[M+HCOO]- 345.13568 191.4
[M+CH3COO]- 359.15133 179.8
[M+Na-2H]- 321.11215 176.7
[M]+ 300.13693 169.2
[M]- 300.13803 169.2
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.