CID 5385655

Nsc408512

Structural Information

Molecular Formula
C14H19N3O
SMILES
CC\1(CCCC/C1=N\NC(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C14H19N3O/c1-14(11-7-3-2-4-8-11)10-6-5-9-12(14)16-17-13(15)18/h2-4,7-8H,5-6,9-10H2,1H3,(H3,15,17,18)/b16-12+
InChIKey
AMDJBMOKSJGJHL-FOWTUZBSSA-N
Compound name
[(E)-(2-methyl-2-phenylcyclohexylidene)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15282 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16010 156.3
[M+Na]+ 268.14204 160.0
[M-H]- 244.14554 163.0
[M+NH4]+ 263.18664 174.6
[M+K]+ 284.11598 157.4
[M+H-H2O]+ 228.15008 148.7
[M+HCOO]- 290.15102 179.9
[M+CH3COO]- 304.16667 200.5
[M+Na-2H]- 266.12749 161.1
[M]+ 245.15227 149.8
[M]- 245.15337 149.8
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

No patent data available for this compound.