CID 836203

331657-84-2

Structural Information

Molecular Formula
C15H14N4O
SMILES
CC(=O)C1=CC=CC=C1NCN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C15H14N4O/c1-11(20)12-6-2-3-7-13(12)16-10-19-15-9-5-4-8-14(15)17-18-19/h2-9,16H,10H2,1H3
InChIKey
BGNCZFPTFROFBC-UHFFFAOYSA-N
Compound name
1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

266.11676 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12404 159.7
[M+Na]+ 289.10598 174.3
[M+NH4]+ 284.15058 167.2
[M+K]+ 305.07992 168.8
[M-H]- 265.10948 163.1
[M+Na-2H]- 287.09143 168.6
[M]+ 266.11621 162.7
[M]- 266.11731 162.7
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