CID 3043601

N-(aminoiminomethyl)-n'-(2,6-diethylphenyl)urea

Structural Information

Molecular Formula
C12H18N4O
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)N=C(N)N
InChI
InChI=1S/C12H18N4O/c1-3-8-6-5-7-9(4-2)10(8)15-12(17)16-11(13)14/h5-7H,3-4H2,1-2H3,(H5,13,14,15,16,17)
InChIKey
MYVDJXHDWWTODJ-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-(2,6-diethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

234.14806 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15534 156.0
[M+Na]+ 257.13728 161.2
[M-H]- 233.14078 160.2
[M+NH4]+ 252.18188 173.1
[M+K]+ 273.11122 159.3
[M+H-H2O]+ 217.14532 148.4
[M+HCOO]- 279.14626 182.4
[M+CH3COO]- 293.16191 204.4
[M+Na-2H]- 255.12273 158.1
[M]+ 234.14751 153.1
[M]- 234.14861 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