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 156.4
[M+Na]+ 257.13728 164.2
[M+NH4]+ 252.18188 162.6
[M+K]+ 273.11122 159.5
[M-H]- 233.14078 159.4
[M+Na-2H]- 255.12273 160.7
[M]+ 234.14751 157.8
[M]- 234.14861 157.8
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