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]+ 337.14076 176.0
[M+Na]+ 359.12270 187.1
[M-H]- 335.12620 179.6
[M+NH4]+ 354.16730 188.0
[M+K]+ 375.09664 181.3
[M+H-H2O]+ 319.13074 165.5
[M+HCOO]- 381.13168 196.5
[M+CH3COO]- 395.14733 186.8
[M+Na-2H]- 357.10815 180.8
[M]+ 336.13293 181.6
[M]- 336.13403 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.