CID 128896

Pglu-his-pro-amphetamine

Structural Information

Molecular Formula
C25H32N6O4
SMILES
CC(CC1=CC=CC=C1)N2CCC[C@H]2C(=O)NC(=O)[C@H](CC3C=NC=N3)NC(=O)[C@@H]4CCC(=O)N4
InChI
InChI=1S/C25H32N6O4/c1-16(12-17-6-3-2-4-7-17)31-11-5-8-21(31)25(35)30-24(34)20(13-18-14-26-15-27-18)29-23(33)19-9-10-22(32)28-19/h2-4,6-7,14-16,18-21H,5,8-13H2,1H3,(H,28,32)(H,29,33)(H,30,34,35)/t16?,18?,19-,20-,21-/m0/s1
InChIKey
CFSHATGJDXBCPQ-JBWPXCNYSA-N
Compound name
(2S)-N-[(2S)-3-(4H-imidazol-4-yl)-1-oxo-1-[[(2S)-1-(1-phenylpropan-2-yl)pyrrolidine-2-carbonyl]amino]propan-2-yl]-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

480.2485 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.25578 209.6
[M+Na]+ 503.23772 212.5
[M+NH4]+ 498.28232 211.0
[M+K]+ 519.21166 216.9
[M-H]- 479.24122 210.6
[M+Na-2H]- 501.22317 211.9
[M]+ 480.24795 209.1
[M]- 480.24905 209.1
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

No patent data available for this compound.