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]+ 306.144816 171.2
[M+Na]+ 328.126758 178.9
[M-H]- 304.130264 172.5
[M+NH4]+ 323.171363 185.6
[M+K]+ 344.100698 176.4
[M+H-H2O]+ 288.134800 164.0
[M+HCOO]- 350.135741 190.3
[M+CH3COO]- 364.151391 203.4
[M+Na-2H]- 326.112206 175.4
[M]+ 305.13699142 175.7
[M]- 305.13808858 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.