CID 146082404

1698881-96-7

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CC(C)(C)OC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3NC2=O
InChI
InChI=1S/C18H18N2O3/c1-18(2,3)23-16(21)12-8-10-13(11-9-12)20-15-7-5-4-6-14(15)19-17(20)22/h4-11H,1-3H3,(H,19,22)
InChIKey
WPVMUAVVINYWOD-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-oxo-3H-benzimidazol-1-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

310.13174 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 173.1
[M+Na]+ 333.12096 183.0
[M-H]- 309.12446 178.0
[M+NH4]+ 328.16556 187.6
[M+K]+ 349.09490 178.0
[M+H-H2O]+ 293.12900 165.2
[M+HCOO]- 355.12994 192.3
[M+CH3COO]- 369.14559 202.2
[M+Na-2H]- 331.10641 177.5
[M]+ 310.13119 176.5
[M]- 310.13229 176.5
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

patents stripe