CID 217352

38651-95-5

Structural Information

Molecular Formula
C22H35N3O3
SMILES
C1CCC(CC1)NCC(COC2=CC=C(C=C2)NC(=O)NC3CCCCC3)O
InChI
InChI=1S/C22H35N3O3/c26-20(15-23-17-7-3-1-4-8-17)16-28-21-13-11-19(12-14-21)25-22(27)24-18-9-5-2-6-10-18/h11-14,17-18,20,23,26H,1-10,15-16H2,(H2,24,25,27)
InChIKey
KSQZLKFCBZMSKA-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

389.26785 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.27513 198.0
[M+Na]+ 412.25707 203.4
[M+NH4]+ 407.30167 203.8
[M+K]+ 428.23101 197.4
[M-H]- 388.26057 203.3
[M+Na-2H]- 410.24252 202.4
[M]+ 389.26730 199.6
[M]- 389.26840 199.6
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