CID 493581

Chembl305185

Structural Information

Molecular Formula
C15H23N5O3
SMILES
CCCNC(=O)NC1=CC=CC=C1C(=O)NNC(=O)NCCC
InChI
InChI=1S/C15H23N5O3/c1-3-9-16-14(22)18-12-8-6-5-7-11(12)13(21)19-20-15(23)17-10-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,19,21)(H2,16,18,22)(H2,17,20,23)
InChIKey
XZCGTAOGSZQVPN-UHFFFAOYSA-N
Compound name
1-propyl-3-[[2-(propylcarbamoylamino)benzoyl]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.18008 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18736 176.4
[M+Na]+ 344.16930 178.0
[M-H]- 320.17280 179.4
[M+NH4]+ 339.21390 188.9
[M+K]+ 360.14324 176.7
[M+H-H2O]+ 304.17734 167.3
[M+HCOO]- 366.17828 202.2
[M+CH3COO]- 380.19393 219.0
[M+Na-2H]- 342.15475 178.8
[M]+ 321.17953 174.7
[M]- 321.18063 174.7
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.