CID 3043757

Urea, n-(aminoiminomethyl)-n'-(2,4,6-trimethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C11H16N4O
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)N=C(N)N)C
InChI
InChI=1S/C11H16N4O/c1-6-4-7(2)9(8(3)5-6)14-11(16)15-10(12)13/h4-5H,1-3H3,(H5,12,13,14,15,16)
InChIKey
GUJXVMUKNHQVGC-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-(2,4,6-trimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

220.13242 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.139696 151.9
[M+Na]+ 243.121638 158.6
[M-H]- 219.125144 156.7
[M+NH4]+ 238.166243 169.9
[M+K]+ 259.095578 156.8
[M+H-H2O]+ 203.129680 144.8
[M+HCOO]- 265.130621 178.6
[M+CH3COO]- 279.146271 202.6
[M+Na-2H]- 241.107086 153.7
[M]+ 220.13187142 149.0
[M]- 220.13296858 149.0
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

patents stripe