CID 15959239

Benzotriazole ester, 7

Structural Information

Molecular Formula
C14H9N5O2
SMILES
C1=CC=C2C(=C1)N=NN2OC(=O)C3=CC4=C(C=C3)N=CN4
InChI
InChI=1S/C14H9N5O2/c20-14(9-5-6-10-12(7-9)16-8-15-10)21-19-13-4-2-1-3-11(13)17-18-19/h1-8H,(H,15,16)
InChIKey
ZVXNOBBLRBKRCE-UHFFFAOYSA-N
Compound name
benzotriazol-1-yl 3H-benzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

279.07562 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08290 159.6
[M+Na]+ 302.06484 171.8
[M-H]- 278.06834 162.3
[M+NH4]+ 297.10944 173.4
[M+K]+ 318.03878 166.0
[M+H-H2O]+ 262.07288 149.8
[M+HCOO]- 324.07382 179.2
[M+CH3COO]- 338.08947 171.4
[M+Na-2H]- 300.05029 166.2
[M]+ 279.07507 163.6
[M]- 279.07617 163.6
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