CID 45157633

Dtxsid40669539

Structural Information

Molecular Formula
C26H33N5O5
SMILES
CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC2=CC3=CC=CC=C3C=C2)NC(=O)C
InChI
InChI=1S/C26H33N5O5/c1-15(27-18(4)32)23(33)29-17(3)26(36)31-13-7-10-22(31)25(35)28-16(2)24(34)30-21-12-11-19-8-5-6-9-20(19)14-21/h5-6,8-9,11-12,14-17,22H,7,10,13H2,1-4H3,(H,27,32)(H,28,35)(H,29,33)(H,30,34)
InChIKey
DSWBHQXKVDSHMW-UHFFFAOYSA-N
Compound name
1-[2-(2-acetamidopropanoylamino)propanoyl]-N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

495.24817 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.25545 214.5
[M+Na]+ 518.23739 216.1
[M+NH4]+ 513.28199 215.6
[M+K]+ 534.21133 217.6
[M-H]- 494.24089 214.7
[M+Na-2H]- 516.22284 214.1
[M]+ 495.24762 213.6
[M]- 495.24872 213.6
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.