CID 508839

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

Structural Information

Molecular Formula
C24H32N4O5
SMILES
CC1=CC=C(C=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=CC(=C(C(=C3N)OC)OC)OC
InChI
InChI=1S/C24H32N4O5/c1-15-5-7-16(8-6-15)13-28-10-9-17(14-28)27-20(29)12-26-24(30)18-11-19(31-2)22(32-3)23(33-4)21(18)25/h5-8,11,17H,9-10,12-14,25H2,1-4H3,(H,26,30)(H,27,29)/t17-/m1/s1
InChIKey
FINKFXFQVROLQE-QGZVFWFLSA-N
Compound name
2-amino-3,4,5-trimethoxy-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

456.23727 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.24455 210.2
[M+Na]+ 479.22649 213.2
[M-H]- 455.22999 218.1
[M+NH4]+ 474.27109 218.0
[M+K]+ 495.20043 210.6
[M+H-H2O]+ 439.23453 199.8
[M+HCOO]- 501.23547 230.7
[M+CH3COO]- 515.25112 243.0
[M+Na-2H]- 477.21194 205.9
[M]+ 456.23672 212.2
[M]- 456.23782 212.2
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.