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]+ 376.25948 187.6
[M+Na]+ 398.24142 184.4
[M-H]- 374.24492 193.2
[M+NH4]+ 393.28602 198.2
[M+K]+ 414.21536 181.2
[M+H-H2O]+ 358.24946 178.1
[M+HCOO]- 420.25040 204.9
[M+CH3COO]- 434.26605 220.5
[M+Na-2H]- 396.22687 185.7
[M]+ 375.25165 178.9
[M]- 375.25275 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