CID 5272023

Amino 3-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]propanoate

Structural Information

Molecular Formula
C17H16N6O2
SMILES
C1=CC=C2C(=C1)N=C(N2CCC(=O)ON)CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C17H16N6O2/c18-25-17(24)9-10-22-14-7-3-1-5-12(14)19-16(22)11-23-15-8-4-2-6-13(15)20-21-23/h1-8H,9-11,18H2
InChIKey
CJVPIDIQNMTYNQ-UHFFFAOYSA-N
Compound name
amino 3-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.13348 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.140756 176.0
[M+Na]+ 359.122698 187.1
[M-H]- 335.126204 179.6
[M+NH4]+ 354.167303 188.0
[M+K]+ 375.096638 181.3
[M+H-H2O]+ 319.130740 165.5
[M+HCOO]- 381.131681 196.5
[M+CH3COO]- 395.147331 186.8
[M+Na-2H]- 357.108146 180.8
[M]+ 336.13293142 181.6
[M]- 336.13402858 181.6
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

No patent data available for this compound.