CID 15959241

Benzotriazole ester, 9

Structural Information

Molecular Formula
C15H10N4O2
SMILES
C1=CC=C2C(=C1)C=C(N2)C(=O)ON3C4=CC=CC=C4N=N3
InChI
InChI=1S/C15H10N4O2/c20-15(13-9-10-5-1-2-6-11(10)16-13)21-19-14-8-4-3-7-12(14)17-18-19/h1-9,16H
InChIKey
ZDPADJJUIZEJSZ-UHFFFAOYSA-N
Compound name
benzotriazol-1-yl 1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

278.08038 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08766 159.8
[M+Na]+ 301.06960 171.6
[M-H]- 277.07310 163.7
[M+NH4]+ 296.11420 175.2
[M+K]+ 317.04354 165.9
[M+H-H2O]+ 261.07764 150.6
[M+HCOO]- 323.07858 180.5
[M+CH3COO]- 337.09423 172.0
[M+Na-2H]- 299.05505 166.1
[M]+ 278.07983 163.7
[M]- 278.08093 163.7
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

No patent data available for this compound.