CID 19861

Azatadine

Structural Information

Molecular Formula
C20H22N2
SMILES
CN1CCC(=C2C3=CC=CC=C3CCC4=C2N=CC=C4)CC1
InChI
InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3
InChIKey
SEBMTIQKRHYNIT-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

74
References

14497
Patents

290.17828 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 172.9
[M+Na]+ 313.16750 186.1
[M+NH4]+ 308.21210 181.8
[M+K]+ 329.14144 177.7
[M-H]- 289.17100 177.8
[M+Na-2H]- 311.15295 179.7
[M]+ 290.17773 176.4
[M]- 290.17883 176.4
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