CID 3063134

N-benzyloxycarbonyl-leucyl-prolinal

Structural Information

Molecular Formula
C19H26N2O4
SMILES
CC(C)C[C@@H](C(=O)N1CCC[C@H]1C=O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H26N2O4/c1-14(2)11-17(18(23)21-10-6-9-16(21)12-22)20-19(24)25-13-15-7-4-3-5-8-15/h3-5,7-8,12,14,16-17H,6,9-11,13H2,1-2H3,(H,20,24)/t16-,17-/m0/s1
InChIKey
ZYHFAZNBTZHBRE-IRXDYDNUSA-N
Compound name
benzyl N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

346.18927 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.196546 185.3
[M+Na]+ 369.178488 187.0
[M-H]- 345.181994 189.3
[M+NH4]+ 364.223093 197.7
[M+K]+ 385.152428 185.2
[M+H-H2O]+ 329.186530 176.5
[M+HCOO]- 391.187471 203.0
[M+CH3COO]- 405.203121 213.5
[M+Na-2H]- 367.163936 181.5
[M]+ 346.18872142 185.1
[M]- 346.18981858 185.1
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