CID 3052299

Urea, n-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)-n'-(2,6-dimethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C13H18N4O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC2=NCCN2C
InChI
InChI=1S/C13H18N4O/c1-9-5-4-6-10(2)11(9)15-13(18)16-12-14-7-8-17(12)3/h4-6H,7-8H2,1-3H3,(H2,14,15,16,18)
InChIKey
DPGJJZUGMYASLA-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-(1-methyl-4,5-dihydroimidazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

246.14806 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.155336 157.9
[M+Na]+ 269.137278 165.1
[M-H]- 245.140784 162.6
[M+NH4]+ 264.181883 174.3
[M+K]+ 285.111218 161.9
[M+H-H2O]+ 229.145320 149.3
[M+HCOO]- 291.146261 181.0
[M+CH3COO]- 305.161911 198.0
[M+Na-2H]- 267.122726 160.6
[M]+ 246.14751142 156.7
[M]- 246.14860858 156.7
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