CID 24846410

102339-07-1

Structural Information

Molecular Formula
C18H15N3O4
SMILES
C1C(OC2=NC3=CC=CC=C3N21)CNC(=O)C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C18H15N3O4/c22-16(11-5-7-12(8-6-11)17(23)24)19-9-13-10-21-15-4-2-1-3-14(15)20-18(21)25-13/h1-8,13H,9-10H2,(H,19,22)(H,23,24)
InChIKey
CCDITZARFMDMFZ-UHFFFAOYSA-N
Compound name
4-(1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethylcarbamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.10626 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11354 174.6
[M+Na]+ 360.09548 182.6
[M-H]- 336.09898 181.0
[M+NH4]+ 355.14008 188.4
[M+K]+ 376.06942 179.4
[M+H-H2O]+ 320.10352 166.9
[M+HCOO]- 382.10446 193.8
[M+CH3COO]- 396.12011 185.5
[M+Na-2H]- 358.08093 177.5
[M]+ 337.10571 177.7
[M]- 337.10681 177.7
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.