CID 28615

Amfetaminil

Structural Information

Molecular Formula
C17H18N2
SMILES
CC(CC1=CC=CC=C1)NC(C#N)C2=CC=CC=C2
InChI
InChI=1S/C17H18N2/c1-14(12-15-8-4-2-5-9-15)19-17(13-18)16-10-6-3-7-11-16/h2-11,14,17,19H,12H2,1H3
InChIKey
NFHVTCJKAHYEQN-UHFFFAOYSA-N
Compound name
2-phenyl-2-(1-phenylpropan-2-ylamino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1400
Patents

250.147 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 165.7
[M+Na]+ 273.13622 172.4
[M-H]- 249.13972 170.0
[M+NH4]+ 268.18082 179.9
[M+K]+ 289.11016 166.4
[M+H-H2O]+ 233.14426 151.2
[M+HCOO]- 295.14520 184.2
[M+CH3COO]- 309.16085 209.2
[M+Na-2H]- 271.12167 169.0
[M]+ 250.14645 158.6
[M]- 250.14755 158.6
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