CID 721101

2-(4-methoxyphenyl)-2h-1,2,3-benzotriazol-5-ylamine

Structural Information

Molecular Formula
C13H12N4O
SMILES
COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)N
InChI
InChI=1S/C13H12N4O/c1-18-11-5-3-10(4-6-11)17-15-12-7-2-9(14)8-13(12)16-17/h2-8H,14H2,1H3
InChIKey
WNZKUNXGRZGIFX-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)benzotriazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

18
Patents

240.1011 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10838 152.1
[M+Na]+ 263.09032 163.5
[M-H]- 239.09382 156.6
[M+NH4]+ 258.13492 168.3
[M+K]+ 279.06426 158.5
[M+H-H2O]+ 223.09836 142.9
[M+HCOO]- 285.09930 175.5
[M+CH3COO]- 299.11495 165.1
[M+Na-2H]- 261.07577 159.4
[M]+ 240.10055 154.4
[M]- 240.10165 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe