CID 508855

3-[(5-chloro-2,4-dimethoxy-phenyl)carbamoylamino]-n-[2-oxo-2-[[(3r)-1-(p-tolylmethyl)pyrrolidin-3-yl]amino]ethyl]benzamide

Structural Information

Molecular Formula
C30H34ClN5O5
SMILES
CC1=CC=C(C=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=CC(=CC=C3)NC(=O)NC4=CC(=C(C=C4OC)OC)Cl
InChI
InChI=1S/C30H34ClN5O5/c1-19-7-9-20(10-8-19)17-36-12-11-23(18-36)33-28(37)16-32-29(38)21-5-4-6-22(13-21)34-30(39)35-25-14-24(31)26(40-2)15-27(25)41-3/h4-10,13-15,23H,11-12,16-18H2,1-3H3,(H,32,38)(H,33,37)(H2,34,35,39)/t23-/m1/s1
InChIKey
VOLHLCXLSWTBLI-HSZRJFAPSA-N
Compound name
3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-N-[2-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.22485 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.23213 238.5
[M+Na]+ 602.21407 239.7
[M-H]- 578.21757 249.3
[M+NH4]+ 597.25867 241.3
[M+K]+ 618.18801 235.4
[M+H-H2O]+ 562.22211 227.0
[M+HCOO]- 624.22305 254.5
[M+CH3COO]- 638.23870 264.4
[M+Na-2H]- 600.19952 234.2
[M]+ 579.22430 241.5
[M]- 579.22540 241.5
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.