CID 3052322

Urea, (bis(methylamino)methylene)(2-methoxy-6-methylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H18N4O2
SMILES
CC1=C(C(=CC=C1)OC)NC(=O)NC(=NC)NC
InChI
InChI=1S/C12H18N4O2/c1-8-6-5-7-9(18-4)10(8)15-12(17)16-11(13-2)14-3/h5-7H,1-4H3,(H3,13,14,15,16,17)
InChIKey
NDNMOOSUQLLNSW-UHFFFAOYSA-N
Compound name
1-(N,N'-dimethylcarbamimidoyl)-3-(2-methoxy-6-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.14297 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15025 158.7
[M+Na]+ 273.13219 163.9
[M-H]- 249.13569 163.9
[M+NH4]+ 268.17679 175.7
[M+K]+ 289.10613 163.2
[M+H-H2O]+ 233.14023 150.8
[M+HCOO]- 295.14117 186.6
[M+CH3COO]- 309.15682 206.3
[M+Na-2H]- 271.11764 162.9
[M]+ 250.14242 159.0
[M]- 250.14352 159.0
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

No patent data available for this compound.