CID 217355

Brn 2952115

Structural Information

Molecular Formula
C21H33N3O3
SMILES
C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)OCC(CNC3CCCC3)O
InChI
InChI=1S/C21H33N3O3/c25-19(14-22-16-6-4-5-7-16)15-27-20-12-10-18(11-13-20)24-21(26)23-17-8-2-1-3-9-17/h10-13,16-17,19,22,25H,1-9,14-15H2,(H2,23,24,26)
InChIKey
NYYSFOJJGVOLRP-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

375.2522 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.259476 187.6
[M+Na]+ 398.241418 184.4
[M-H]- 374.244924 193.2
[M+NH4]+ 393.286023 198.2
[M+K]+ 414.215358 181.2
[M+H-H2O]+ 358.249460 178.1
[M+HCOO]- 420.250401 204.9
[M+CH3COO]- 434.266051 220.5
[M+Na-2H]- 396.226866 185.7
[M]+ 375.25165142 178.9
[M]- 375.25274858 178.9
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