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 159.7
[M+Na]+ 273.13219 167.6
[M+NH4]+ 268.17679 165.6
[M+K]+ 289.10613 162.9
[M-H]- 249.13569 162.5
[M+Na-2H]- 271.11764 164.4
[M]+ 250.14242 161.0
[M]- 250.14352 161.0
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.