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

4412
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.