CID 45157633

102029-65-2

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

0
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 217.6
[M+Na]+ 518.23739 214.6
[M-H]- 494.24089 222.1
[M+NH4]+ 513.28199 223.3
[M+K]+ 534.21133 214.6
[M+H-H2O]+ 478.24543 208.5
[M+HCOO]- 540.24637 232.3
[M+CH3COO]- 554.26202 252.7
[M+Na-2H]- 516.22284 211.6
[M]+ 495.24762 214.6
[M]- 495.24872 214.6
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.