CID 45501645

2060041-43-0

Structural Information

Molecular Formula
C15H19N3O4
SMILES
CC(C)(C)OC(=O)NCC1=NC2=CC=CC=C2N1CC(=O)O
InChI
InChI=1S/C15H19N3O4/c1-15(2,3)22-14(21)16-8-12-17-10-6-4-5-7-11(10)18(12)9-13(19)20/h4-7H,8-9H2,1-3H3,(H,16,21)(H,19,20)
InChIKey
WAXPQFZXYJZOLH-UHFFFAOYSA-N
Compound name
2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzimidazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.13754 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14482 171.2
[M+Na]+ 328.12676 178.9
[M-H]- 304.13026 172.5
[M+NH4]+ 323.17136 185.6
[M+K]+ 344.10070 176.4
[M+H-H2O]+ 288.13480 164.0
[M+HCOO]- 350.13574 190.3
[M+CH3COO]- 364.15139 203.4
[M+Na-2H]- 326.11221 175.4
[M]+ 305.13699 175.7
[M]- 305.13809 175.7
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.