CID 124202934

1613249-60-7

Structural Information

Molecular Formula
C21H33N3O3
SMILES
CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NCC2=CC=CC=C2O
InChI
InChI=1S/C21H33N3O3/c1-4-5-12-22-20(26)17-10-8-13-24(17)21(27)19(15(2)3)23-14-16-9-6-7-11-18(16)25/h6-7,9,11,15,17,19,23,25H,4-5,8,10,12-14H2,1-3H3,(H,22,26)/t17-,19-/m0/s1
InChIKey
YETNAJXRRQTUPV-HKUYNNGSSA-N
Compound name
(2S)-N-butyl-1-[(2S)-2-[(2-hydroxyphenyl)methylamino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.2522 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.25948 195.1
[M+Na]+ 398.24142 200.1
[M+NH4]+ 393.28602 199.0
[M+K]+ 414.21536 198.1
[M-H]- 374.24492 195.8
[M+Na-2H]- 396.22687 196.2
[M]+ 375.25165 195.2
[M]- 375.25275 195.2
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

No patent data available for this compound.