CID 208678

Cb 852

Structural Information

Molecular Formula
C20H31ClN2O2
SMILES
CC(C)C1=C(C=C(C=C1)CCCC(=O)NCCCN2CCOCC2)Cl
InChI
InChI=1S/C20H31ClN2O2/c1-16(2)18-8-7-17(15-19(18)21)5-3-6-20(24)22-9-4-10-23-11-13-25-14-12-23/h7-8,15-16H,3-6,9-14H2,1-2H3,(H,22,24)
InChIKey
HZXSAAXJXCQBKQ-UHFFFAOYSA-N
Compound name
4-(3-chloro-4-propan-2-ylphenyl)-N-(3-morpholin-4-ylpropyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.2074 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21468 193.4
[M+Na]+ 389.19662 195.8
[M-H]- 365.20012 197.2
[M+NH4]+ 384.24122 203.3
[M+K]+ 405.17056 191.5
[M+H-H2O]+ 349.20466 184.3
[M+HCOO]- 411.20560 204.1
[M+CH3COO]- 425.22125 218.8
[M+Na-2H]- 387.18207 192.0
[M]+ 366.20685 194.4
[M]- 366.20795 194.4
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.