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]+ 338.113536 174.6
[M+Na]+ 360.095478 182.6
[M-H]- 336.098984 181.0
[M+NH4]+ 355.140083 188.4
[M+K]+ 376.069418 179.4
[M+H-H2O]+ 320.103520 166.9
[M+HCOO]- 382.104461 193.8
[M+CH3COO]- 396.120111 185.5
[M+Na-2H]- 358.080926 177.5
[M]+ 337.10571142 177.7
[M]- 337.10680858 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.