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]+ 251.150246 158.7
[M+Na]+ 273.132188 163.9
[M-H]- 249.135694 163.9
[M+NH4]+ 268.176793 175.7
[M+K]+ 289.106128 163.2
[M+H-H2O]+ 233.140230 150.8
[M+HCOO]- 295.141171 186.6
[M+CH3COO]- 309.156821 206.3
[M+Na-2H]- 271.117636 162.9
[M]+ 250.14242142 159.0
[M]- 250.14351858 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.