CID 3052301

Urea, n-(2,6-dimethylphenyl)-n'-(1,4,5,6-tetrahydro-2-pyrimidinyl)-, monohydrochloride

Structural Information

Molecular Formula
C13H18N4O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC2=NCCCN2
InChI
InChI=1S/C13H18N4O/c1-9-5-3-6-10(2)11(9)16-13(18)17-12-14-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H3,14,15,16,17,18)
InChIKey
PFFCETHBLSSXEX-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

246.14806 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.155336 158.3
[M+Na]+ 269.137278 163.3
[M-H]- 245.140784 160.7
[M+NH4]+ 264.181883 171.6
[M+K]+ 285.111218 159.2
[M+H-H2O]+ 229.145320 149.4
[M+HCOO]- 291.146261 177.6
[M+CH3COO]- 305.161911 195.0
[M+Na-2H]- 267.122726 162.9
[M]+ 246.14751142 152.7
[M]- 246.14860858 152.7
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