CID 11597698

Lisdexamfetamine

Structural Information

Molecular Formula
C15H25N3O
SMILES
C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1
InChIKey
VOBHXZCDAVEXEY-JSGCOSHPSA-N
Compound name
(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

398
References

5064
Patents

263.19977 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.20705 167.3
[M+Na]+ 286.18899 169.0
[M-H]- 262.19249 168.7
[M+NH4]+ 281.23359 182.0
[M+K]+ 302.16293 166.4
[M+H-H2O]+ 246.19703 159.3
[M+HCOO]- 308.19797 189.0
[M+CH3COO]- 322.21362 206.3
[M+Na-2H]- 284.17444 167.2
[M]+ 263.19922 163.7
[M]- 263.20032 163.7
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