CID 3049571

Urea, n-(imino(methylamino)methyl)-n'-(2-methoxy-6-methylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C11H16N4O2
SMILES
CC1=C(C(=CC=C1)OC)NC(=O)NC(=NC)N
InChI
InChI=1S/C11H16N4O2/c1-7-5-4-6-8(17-3)9(7)14-11(16)15-10(12)13-2/h4-6H,1-3H3,(H4,12,13,14,15,16)
InChIKey
WZWSJFXSXIQNBU-UHFFFAOYSA-N
Compound name
1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

236.12732 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13460 154.1
[M+Na]+ 259.11654 159.7
[M-H]- 235.12004 159.0
[M+NH4]+ 254.16114 171.3
[M+K]+ 275.09048 158.9
[M+H-H2O]+ 219.12458 146.4
[M+HCOO]- 281.12552 181.7
[M+CH3COO]- 295.14117 203.4
[M+Na-2H]- 257.10199 157.8
[M]+ 236.12677 153.1
[M]- 236.12787 153.1
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