CID 2733285

Leucine p-nitroanilide

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CC(C)C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N
InChI
InChI=1S/C12H17N3O3/c1-8(2)7-11(13)12(16)14-9-3-5-10(6-4-9)15(17)18/h3-6,8,11H,7,13H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKey
AXZJHDNQDSVIDR-NSHDSACASA-N
Compound name
(2S)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

70
References

1049
Patents

251.127 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.134276 156.2
[M+Na]+ 274.116218 159.7
[M-H]- 250.119724 158.9
[M+NH4]+ 269.160823 171.2
[M+K]+ 290.090158 154.4
[M+H-H2O]+ 234.124260 153.7
[M+HCOO]- 296.125201 179.7
[M+CH3COO]- 310.140851 194.5
[M+Na-2H]- 272.101666 159.0
[M]+ 251.12645142 152.5
[M]- 251.12754858 152.5
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

patents stripe