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 173.4
[M+Na]+ 315.17912 179.4
[M+NH4]+ 310.22372 178.2
[M+K]+ 331.15306 176.0
[M-H]- 291.18262 175.1
[M+Na-2H]- 313.16457 176.0
[M]+ 292.18935 174.0
[M]- 292.19045 174.0
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