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

6
Patents

246.14806 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15534 157.9
[M+Na]+ 269.13728 165.1
[M-H]- 245.14078 162.6
[M+NH4]+ 264.18188 174.3
[M+K]+ 285.11122 161.9
[M+H-H2O]+ 229.14532 149.3
[M+HCOO]- 291.14626 181.0
[M+CH3COO]- 305.16191 198.0
[M+Na-2H]- 267.12273 160.6
[M]+ 246.14751 156.7
[M]- 246.14861 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