CID 15959240

Benzotriazol-1-yl 1h-indole-5-carboxylate

Structural Information

Molecular Formula
C15H10N4O2
SMILES
C1=CC=C2C(=C1)N=NN2OC(=O)C3=CC4=C(C=C3)NC=C4
InChI
InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H
InChIKey
YPFWNRLSYPAVJB-UHFFFAOYSA-N
Compound name
benzotriazol-1-yl 1H-indole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

278.08038 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.087656 159.8
[M+Na]+ 301.069598 171.6
[M-H]- 277.073104 163.7
[M+NH4]+ 296.114203 175.2
[M+K]+ 317.043538 165.9
[M+H-H2O]+ 261.077640 150.6
[M+HCOO]- 323.078581 180.5
[M+CH3COO]- 337.094231 172.0
[M+Na-2H]- 299.055046 166.1
[M]+ 278.07983142 163.7
[M]- 278.08092858 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

literature stripe

Patent stripe

No patent data available for this compound.