CID 135599695

Urea, 1-(2,6-dimethylphenyl)-3-hexylamidino-, hydrochloride

Structural Information

Molecular Formula
C16H26N4O
SMILES
CCCCCCN/N=C/NC(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C16H26N4O/c1-4-5-6-7-11-18-19-12-17-16(21)20-15-13(2)9-8-10-14(15)3/h8-10,12,18H,4-7,11H2,1-3H3,(H2,17,19,20,21)
InChIKey
NDMIYTQHRNCOHC-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-[(E)-(hexylhydrazinylidene)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.21066 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.21794 172.1
[M+Na]+ 313.19988 175.8
[M-H]- 289.20338 176.4
[M+NH4]+ 308.24448 187.5
[M+K]+ 329.17382 173.0
[M+H-H2O]+ 273.20792 163.5
[M+HCOO]- 335.20886 199.5
[M+CH3COO]- 349.22451 216.7
[M+Na-2H]- 311.18533 175.6
[M]+ 290.21011 173.3
[M]- 290.21121 173.3
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

No patent data available for this compound.