CID 4487709

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

Structural Information

Molecular Formula
C21H36N4O2
SMILES
CCCN(CCC)C(=O)NC1=CC(=C(C=C1)C)NC(=O)N(CCC)CCC
InChI
InChI=1S/C21H36N4O2/c1-6-12-24(13-7-2)20(26)22-18-11-10-17(5)19(16-18)23-21(27)25(14-8-3)15-9-4/h10-11,16H,6-9,12-15H2,1-5H3,(H,22,26)(H,23,27)
InChIKey
OCWHZNDECVZSSB-UHFFFAOYSA-N
Compound name
3-[3-(dipropylcarbamoylamino)-4-methylphenyl]-1,1-dipropylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

376.2838 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.29108 200.5
[M+Na]+ 399.27302 201.6
[M-H]- 375.27652 205.5
[M+NH4]+ 394.31762 212.8
[M+K]+ 415.24696 201.0
[M+H-H2O]+ 359.28106 190.9
[M+HCOO]- 421.28200 224.9
[M+CH3COO]- 435.29765 238.0
[M+Na-2H]- 397.25847 198.1
[M]+ 376.28325 204.8
[M]- 376.28435 204.8
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