CID 109032

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

Structural Information

Molecular Formula
C11H16N4O2
SMILES
CC1=C(C=C(C=C1)NC(=O)NC)NC(=O)NC
InChI
InChI=1S/C11H16N4O2/c1-7-4-5-8(14-10(16)12-2)6-9(7)15-11(17)13-3/h4-6H,1-3H3,(H2,12,14,16)(H2,13,15,17)
InChIKey
ZHNZOYGZVBMVGZ-UHFFFAOYSA-N
Compound name
1-methyl-3-[2-methyl-5-(methylcarbamoylamino)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

236.12732 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.134596 154.0
[M+Na]+ 259.116538 159.1
[M-H]- 235.120044 158.0
[M+NH4]+ 254.161143 170.8
[M+K]+ 275.090478 157.8
[M+H-H2O]+ 219.124580 146.5
[M+HCOO]- 281.125521 180.7
[M+CH3COO]- 295.141171 201.6
[M+Na-2H]- 257.101986 158.3
[M]+ 236.12677142 152.2
[M]- 236.12786858 152.2
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