CID 508726

Benzamide, n-[2-[[(3s)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3,4-dimethoxy-

Structural Information

Molecular Formula
C22H26ClN3O4
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N[C@H]2CCN(C2)CC3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C22H26ClN3O4/c1-29-19-8-5-16(11-20(19)30-2)22(28)24-12-21(27)25-18-9-10-26(14-18)13-15-3-6-17(23)7-4-15/h3-8,11,18H,9-10,12-14H2,1-2H3,(H,24,28)(H,25,27)/t18-/m0/s1
InChIKey
CHQBZTNQSIPPEO-SFHVURJKSA-N
Compound name
N-[2-[[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.1612 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.16848 202.9
[M+Na]+ 454.15042 207.1
[M-H]- 430.15392 210.8
[M+NH4]+ 449.19502 212.8
[M+K]+ 470.12436 202.2
[M+H-H2O]+ 414.15846 193.3
[M+HCOO]- 476.15940 219.1
[M+CH3COO]- 490.17505 230.5
[M+Na-2H]- 452.13587 200.4
[M]+ 431.16065 206.0
[M]- 431.16175 206.0
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.