CID 508738

Benzenepentanamide, n-[1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]-4-methoxy-d-oxo-

Structural Information

Molecular Formula
C23H27ClN2O3
SMILES
COC1=CC=C(C=C1)C(=O)CCCC(=O)NC2CCN(C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H27ClN2O3/c1-29-21-11-7-18(8-12-21)22(27)3-2-4-23(28)25-20-13-14-26(16-20)15-17-5-9-19(24)10-6-17/h5-12,20H,2-4,13-16H2,1H3,(H,25,28)
InChIKey
MDWJPZJHFWQANW-UHFFFAOYSA-N
Compound name
N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methoxyphenyl)-5-oxopentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.17102 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17830 201.5
[M+Na]+ 437.16024 205.5
[M-H]- 413.16374 208.8
[M+NH4]+ 432.20484 212.2
[M+K]+ 453.13418 199.4
[M+H-H2O]+ 397.16828 191.9
[M+HCOO]- 459.16922 216.1
[M+CH3COO]- 473.18487 225.4
[M+Na-2H]- 435.14569 198.2
[M]+ 414.17047 203.8
[M]- 414.17157 203.8
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.