CID 15959237

Benzotriazole ester, 5

Structural Information

Molecular Formula
C14H12N4O2
SMILES
CNC1=CC=C(C=C1)C(=O)ON2C3=CC=CC=C3N=N2
InChI
InChI=1S/C14H12N4O2/c1-15-11-8-6-10(7-9-11)14(19)20-18-13-5-3-2-4-12(13)16-17-18/h2-9,15H,1H3
InChIKey
JXCSDPIXSVMCBQ-UHFFFAOYSA-N
Compound name
benzotriazol-1-yl 4-(methylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

268.09604 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10332 158.1
[M+Na]+ 291.08526 167.9
[M-H]- 267.08876 162.8
[M+NH4]+ 286.12986 172.9
[M+K]+ 307.05920 163.6
[M+H-H2O]+ 251.09330 148.5
[M+HCOO]- 313.09424 181.2
[M+CH3COO]- 327.10989 170.4
[M+Na-2H]- 289.07071 165.6
[M]+ 268.09549 161.2
[M]- 268.09659 161.2
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

No patent data available for this compound.