CID 3052253

Urea, n'-(aminoiminomethyl)-n-(2,6-dimethylphenyl)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C11H16N4O
SMILES
CC1=C(C(=CC=C1)C)N(C)C(=O)N=C(N)N
InChI
InChI=1S/C11H16N4O/c1-7-5-4-6-8(2)9(7)15(3)11(16)14-10(12)13/h4-6H,1-3H3,(H4,12,13,14,16)
InChIKey
CVXYGLCPHOOIIL-UHFFFAOYSA-N
Compound name
3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

220.13242 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13970 152.3
[M+Na]+ 243.12164 160.5
[M+NH4]+ 238.16624 158.9
[M+K]+ 259.09558 156.5
[M-H]- 219.12514 155.6
[M+Na-2H]- 241.10709 157.0
[M]+ 220.13187 153.9
[M]- 220.13297 153.9
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