CID 493594

4-(3-chlorophenyl)-1-(3-furfurylureidoacetyl)semicarbazide

Structural Information

Molecular Formula
C15H16ClN5O4
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)NNC(=O)CNC(=O)NCC2=COC=C2
InChI
InChI=1S/C15H16ClN5O4/c16-11-2-1-3-12(6-11)19-15(24)21-20-13(22)8-18-14(23)17-7-10-4-5-25-9-10/h1-6,9H,7-8H2,(H,20,22)(H2,17,18,23)(H2,19,21,24)
InChIKey
CDOULWZINWYFDT-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-[[2-(furan-3-ylmethylcarbamoylamino)acetyl]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.08908 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09636 185.3
[M+Na]+ 388.07830 188.4
[M-H]- 364.08180 192.5
[M+NH4]+ 383.12290 196.8
[M+K]+ 404.05224 186.2
[M+H-H2O]+ 348.08634 176.7
[M+HCOO]- 410.08728 208.0
[M+CH3COO]- 424.10293 220.8
[M+Na-2H]- 386.06375 188.7
[M]+ 365.08853 186.4
[M]- 365.08963 186.4
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

No patent data available for this compound.