CID 3043600

Brn 2378783

Structural Information

Molecular Formula
C11H16N4O
SMILES
CCC1=CC=CC(=C1NC(=O)N=C(N)N)C
InChI
InChI=1S/C11H16N4O/c1-3-8-6-4-5-7(2)9(8)14-11(16)15-10(12)13/h4-6H,3H2,1-2H3,(H5,12,13,14,15,16)
InChIKey
OMAKCGFGJZPLLZ-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-(2-ethyl-6-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

220.13242 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13970 151.5
[M+Na]+ 243.12164 157.2
[M-H]- 219.12514 155.9
[M+NH4]+ 238.16624 169.1
[M+K]+ 259.09558 155.4
[M+H-H2O]+ 203.12968 144.1
[M+HCOO]- 265.13062 178.3
[M+CH3COO]- 279.14627 201.3
[M+Na-2H]- 241.10709 154.1
[M]+ 220.13187 148.2
[M]- 220.13297 148.2
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