CID 3043601

55832-01-4

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

20
Patents

234.14806 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.155336 156.0
[M+Na]+ 257.137278 161.2
[M-H]- 233.140784 160.2
[M+NH4]+ 252.181883 173.1
[M+K]+ 273.111218 159.3
[M+H-H2O]+ 217.145320 148.4
[M+HCOO]- 279.146261 182.4
[M+CH3COO]- 293.161911 204.4
[M+Na-2H]- 255.122726 158.1
[M]+ 234.14751142 153.1
[M]- 234.14860858 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