CID 508731

Benzamide, n-[3-[[(3r)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-3-oxopropyl]-4-methyl-

Structural Information

Molecular Formula
C22H26ClN3O2
SMILES
CC1=CC=C(C=C1)C(=O)NCCC(=O)N[C@@H]2CCN(C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H26ClN3O2/c1-16-2-6-18(7-3-16)22(28)24-12-10-21(27)25-20-11-13-26(15-20)14-17-4-8-19(23)9-5-17/h2-9,20H,10-15H2,1H3,(H,24,28)(H,25,27)/t20-/m1/s1
InChIKey
DDACJKUKUWLCFF-HXUWFJFHSA-N
Compound name
N-[3-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-3-oxopropyl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.17136 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.17864 198.3
[M+Na]+ 422.16058 202.1
[M-H]- 398.16408 205.7
[M+NH4]+ 417.20518 209.4
[M+K]+ 438.13452 195.6
[M+H-H2O]+ 382.16862 188.7
[M+HCOO]- 444.16956 214.1
[M+CH3COO]- 458.18521 224.9
[M+Na-2H]- 420.14603 196.0
[M]+ 399.17081 198.2
[M]- 399.17191 198.2
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.