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

7
Patents

346.18927 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.19655 185.3
[M+Na]+ 369.17849 187.0
[M-H]- 345.18199 189.3
[M+NH4]+ 364.22309 197.7
[M+K]+ 385.15243 185.2
[M+H-H2O]+ 329.18653 176.5
[M+HCOO]- 391.18747 203.0
[M+CH3COO]- 405.20312 213.5
[M+Na-2H]- 367.16394 181.5
[M]+ 346.18872 185.1
[M]- 346.18982 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