CID 42153

Napactadine hydrochloride

Structural Information

Molecular Formula
C14H16N2
SMILES
CNC(=NC)CC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H16N2/c1-15-14(16-2)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,10H2,1-2H3,(H,15,16)
InChIKey
NAHCWQNNENHGNH-UHFFFAOYSA-N
Compound name
N,N'-dimethyl-2-naphthalen-2-ylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

200
Patents

212.13135 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 148.8
[M+Na]+ 235.12057 161.9
[M+NH4]+ 230.16517 158.5
[M+K]+ 251.09451 153.4
[M-H]- 211.12407 153.9
[M+Na-2H]- 233.10602 157.1
[M]+ 212.13080 152.1
[M]- 212.13190 152.1
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