CID 135409041

Nsc655966

Structural Information

Molecular Formula
C17H12N2O4
SMILES
C1=CC=C(C=C1)NC(=O)/N=C/C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C17H12N2O4/c20-15-12-8-4-5-9-14(12)23-16(21)13(15)10-18-17(22)19-11-6-2-1-3-7-11/h1-10,20H,(H,19,22)/b18-10+
InChIKey
UKPVNCGATHBEEC-VCHYOVAHSA-N
Compound name
(1E)-1-[(4-hydroxy-2-oxochromen-3-yl)methylidene]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0797 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.086976 167.9
[M+Na]+ 331.068918 176.1
[M-H]- 307.072424 176.8
[M+NH4]+ 326.113523 181.6
[M+K]+ 347.042858 173.2
[M+H-H2O]+ 291.076960 159.1
[M+HCOO]- 353.077901 192.5
[M+CH3COO]- 367.093551 207.7
[M+Na-2H]- 329.054366 175.9
[M]+ 308.07915142 170.0
[M]- 308.08024858 170.0
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.