CID 5278245

Chembl280234

Structural Information

Molecular Formula
C15H28N4O4
SMILES
CC(C)N(C(C)C)C(=O)N1C[C@@H]([C@@H](C1)NC(=O)N(C)C)C(=O)O
InChI
InChI=1S/C15H28N4O4/c1-9(2)19(10(3)4)15(23)18-7-11(13(20)21)12(8-18)16-14(22)17(5)6/h9-12H,7-8H2,1-6H3,(H,16,22)(H,20,21)/t11-,12+/m0/s1
InChIKey
JPWQDYKGJJGLIX-NWDGAFQWSA-N
Compound name
(3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.21106 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.21834 180.7
[M+Na]+ 351.20028 182.1
[M-H]- 327.20378 183.8
[M+NH4]+ 346.24488 194.6
[M+K]+ 367.17422 184.7
[M+H-H2O]+ 311.20832 173.3
[M+HCOO]- 373.20926 198.9
[M+CH3COO]- 387.22491 222.4
[M+Na-2H]- 349.18573 174.2
[M]+ 328.21051 180.5
[M]- 328.21161 180.5
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.