CID 853763

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

Structural Information

Molecular Formula
C15H24N4O2
SMILES
CC1=C(C=C(C=C1)NC(=O)NC(C)C)NC(=O)NC(C)C
InChI
InChI=1S/C15H24N4O2/c1-9(2)16-14(20)18-12-7-6-11(5)13(8-12)19-15(21)17-10(3)4/h6-10H,1-5H3,(H2,16,18,20)(H2,17,19,21)
InChIKey
LTKWNQWNHVKMMN-UHFFFAOYSA-N
Compound name
1-[2-methyl-5-(propan-2-ylcarbamoylamino)phenyl]-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.1899 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.19718 173.6
[M+Na]+ 315.17912 176.5
[M-H]- 291.18262 177.0
[M+NH4]+ 310.22372 187.9
[M+K]+ 331.15306 175.5
[M+H-H2O]+ 275.18716 165.6
[M+HCOO]- 337.18810 197.0
[M+CH3COO]- 351.20375 215.6
[M+Na-2H]- 313.16457 173.3
[M]+ 292.18935 171.9
[M]- 292.19045 171.9
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