CID 162944

(2s)-n-[2-[[(2r)-4-methyl-2-(methylamino)pentanoyl]amino]acetyl]pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C14H26N4O3
SMILES
CC(C)C[C@H](C(=O)NCC(=O)NC(=O)[C@@H]1CCCN1)NC
InChI
InChI=1S/C14H26N4O3/c1-9(2)7-11(15-3)13(20)17-8-12(19)18-14(21)10-5-4-6-16-10/h9-11,15-16H,4-8H2,1-3H3,(H,17,20)(H,18,19,21)/t10-,11+/m0/s1
InChIKey
PWWHPNUWGBQCGO-WDEREUQCSA-N
Compound name
(2S)-N-[2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]acetyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

298.2005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.207776 175.0
[M+Na]+ 321.189718 174.5
[M-H]- 297.193224 174.5
[M+NH4]+ 316.234323 188.1
[M+K]+ 337.163658 173.8
[M+H-H2O]+ 281.197760 166.8
[M+HCOO]- 343.198701 192.3
[M+CH3COO]- 357.214351 208.7
[M+Na-2H]- 319.175166 171.3
[M]+ 298.19995142 169.6
[M]- 298.20104858 169.6
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

patents stripe