CID 9578748

1-(3-chlorophenyl)-3-[(e)-(2-isopropyl-5-methyl-cyclohexylidene)amino]urea

Structural Information

Molecular Formula
C17H24ClN3O
SMILES
CC1CCC(/C(=N/NC(=O)NC2=CC(=CC=C2)Cl)/C1)C(C)C
InChI
InChI=1S/C17H24ClN3O/c1-11(2)15-8-7-12(3)9-16(15)20-21-17(22)19-14-6-4-5-13(18)10-14/h4-6,10-12,15H,7-9H2,1-3H3,(H2,19,21,22)/b20-16+
InChIKey
CRWQVIAGVHNLJO-CAPFRKAQSA-N
Compound name
1-(3-chlorophenyl)-3-[(E)-(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.1608 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16808 179.2
[M+Na]+ 344.15002 183.1
[M-H]- 320.15352 186.1
[M+NH4]+ 339.19462 194.1
[M+K]+ 360.12396 178.6
[M+H-H2O]+ 304.15806 171.6
[M+HCOO]- 366.15900 196.9
[M+CH3COO]- 380.17465 216.9
[M+Na-2H]- 342.13547 179.0
[M]+ 321.16025 176.8
[M]- 321.16135 176.8
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.