CID 4197377

1,1'-(4-methyl-1,3-phenylene)bis(3-propylurea)

Structural Information

Molecular Formula
C15H24N4O2
SMILES
CCCNC(=O)NC1=CC(=C(C=C1)C)NC(=O)NCCC
InChI
InChI=1S/C15H24N4O2/c1-4-8-16-14(20)18-12-7-6-11(3)13(10-12)19-15(21)17-9-5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H2,16,18,20)(H2,17,19,21)
InChIKey
HOHMCBDZTBFPDX-UHFFFAOYSA-N
Compound name
1-[2-methyl-5-(propylcarbamoylamino)phenyl]-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1899 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.19718 171.8
[M+Na]+ 315.17912 175.1
[M-H]- 291.18262 175.0
[M+NH4]+ 310.22372 186.2
[M+K]+ 331.15306 172.9
[M+H-H2O]+ 275.18716 163.5
[M+HCOO]- 337.18810 197.1
[M+CH3COO]- 351.20375 213.7
[M+Na-2H]- 313.16457 174.0
[M]+ 292.18935 171.3
[M]- 292.19045 171.3
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

No patent data available for this compound.