CID 463098

Azatadine m (oh, -h2o)

Structural Information

Molecular Formula
C20H20N2
SMILES
CN1CCC(=C2C3=CC=CC=C3C=CC4=C2N=CC=C4)CC1
InChI
InChI=1S/C20H20N2/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/h2-9,12H,10-11,13-14H2,1H3
InChIKey
GJUAVAZPKHQKDB-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.16266 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16994 170.1
[M+Na]+ 311.15188 176.4
[M-H]- 287.15538 176.1
[M+NH4]+ 306.19648 184.0
[M+K]+ 327.12582 173.0
[M+H-H2O]+ 271.15992 161.2
[M+HCOO]- 333.16086 184.9
[M+CH3COO]- 347.17651 179.6
[M+Na-2H]- 309.13733 175.1
[M]+ 288.16211 162.9
[M]- 288.16321 162.9
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

No patent data available for this compound.