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 191.2
[M+Na]+ 412.25707 186.8
[M-H]- 388.26057 195.9
[M+NH4]+ 407.30167 199.2
[M+K]+ 428.23101 183.5
[M+H-H2O]+ 372.26511 181.0
[M+HCOO]- 434.26605 205.9
[M+CH3COO]- 448.28170 224.2
[M+Na-2H]- 410.24252 190.2
[M]+ 389.26730 180.6
[M]- 389.26840 180.6
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