CID 9802631

Ym-43611

Structural Information

Molecular Formula
C23H26ClN3O3
SMILES
COC1=CC(=C(C=C1C(=O)N[C@H]2CCN(C2)CC3=CC=CC=C3)Cl)NC(=O)C4CC4
InChI
InChI=1S/C23H26ClN3O3/c1-30-21-12-20(26-22(28)16-7-8-16)19(24)11-18(21)23(29)25-17-9-10-27(14-17)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
InChIKey
CPVZPPFHQBIJNB-KRWDZBQOSA-N
Compound name
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-4-(cyclopropanecarbonylamino)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

427.16626 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.17354 199.8
[M+Na]+ 450.15548 212.3
[M+NH4]+ 445.20008 206.9
[M+K]+ 466.12942 208.2
[M-H]- 426.15898 212.7
[M+Na-2H]- 448.14093 209.1
[M]+ 427.16571 206.4
[M]- 427.16681 206.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe