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

18
Patents

220.13242 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.139696 152.2
[M+Na]+ 243.121638 158.0
[M-H]- 219.125144 158.0
[M+NH4]+ 238.166243 170.4
[M+K]+ 259.095578 157.7
[M+H-H2O]+ 203.129680 144.6
[M+HCOO]- 265.130621 179.4
[M+CH3COO]- 279.146271 204.6
[M+Na-2H]- 241.107086 154.0
[M]+ 220.13187142 150.1
[M]- 220.13296858 150.1
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