CID 6496838

887685-94-1

Structural Information

Molecular Formula
C19H14N2O6
SMILES
C1=COC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C(=O)O)O
InChI
InChI=1S/C19H14N2O6/c22-15-10-13(7-8-14(15)19(25)26)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10,22H,(H,20,24)(H,21,23)(H,25,26)
InChIKey
HUPASKFDURPNGE-UHFFFAOYSA-N
Compound name
4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

366.08517 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.09245 182.5
[M+Na]+ 389.07439 187.2
[M-H]- 365.07789 191.0
[M+NH4]+ 384.11899 192.2
[M+K]+ 405.04833 185.3
[M+H-H2O]+ 349.08243 173.9
[M+HCOO]- 411.08337 204.0
[M+CH3COO]- 425.09902 214.5
[M+Na-2H]- 387.05984 183.4
[M]+ 366.08462 182.6
[M]- 366.08572 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe