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 173.7
[M+Na]+ 313.19988 181.5
[M+NH4]+ 308.24448 179.6
[M+K]+ 329.17382 174.6
[M-H]- 289.20338 177.0
[M+Na-2H]- 311.18533 178.2
[M]+ 290.21011 175.2
[M]- 290.21121 175.2
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

No patent data available for this compound.