CID 9851211

Sdz nkt 343

Structural Information

Molecular Formula
C33H33N5O5
SMILES
CN(CC1=CC=CC=C1)C(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@@H]4CCCN4C(=O)NC5=CC=CC=C5[N+](=O)[O-]
InChI
InChI=1S/C33H33N5O5/c1-36(22-23-10-3-2-4-11-23)32(40)28(21-24-17-18-25-12-5-6-13-26(25)20-24)34-31(39)30-16-9-19-37(30)33(41)35-27-14-7-8-15-29(27)38(42)43/h2-8,10-15,17-18,20,28,30H,9,16,19,21-22H2,1H3,(H,34,39)(H,35,41)/t28-,30-/m0/s1
InChIKey
PCVSIMQAFWRUEC-JDXGNMNLSA-N
Compound name
(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

101
Patents

579.24817 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.25545 234.1
[M+Na]+ 602.23739 243.3
[M+NH4]+ 597.28199 238.0
[M+K]+ 618.21133 241.8
[M-H]- 578.24089 242.6
[M+Na-2H]- 600.22284 241.3
[M]+ 579.24762 237.2
[M]- 579.24872 237.2
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