CID 3042362

Brn 1656637

Structural Information

Molecular Formula
C16H11ClN2O3
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)NC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H11ClN2O3/c17-10-5-7-11(8-6-10)18-16(21)19-15-9-13(20)12-3-1-2-4-14(12)22-15/h1-9H,(H2,18,19,21)
InChIKey
UQVGOAKBSGTGAL-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4-oxochromen-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.0458 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05308 168.7
[M+Na]+ 337.03502 178.0
[M-H]- 313.03852 177.5
[M+NH4]+ 332.07962 183.2
[M+K]+ 353.00896 173.6
[M+H-H2O]+ 297.04306 161.1
[M+HCOO]- 359.04400 188.7
[M+CH3COO]- 373.05965 180.9
[M+Na-2H]- 335.02047 176.6
[M]+ 314.04525 172.3
[M]- 314.04635 172.3
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