CID 33225

Brn 0962037

Structural Information

Molecular Formula
C21H22N2
SMILES
CN1CCC=C(C1)C2=CC3=CC=CC=C3N2CC4=CC=CC=C4
InChI
InChI=1S/C21H22N2/c1-22-13-7-11-19(16-22)21-14-18-10-5-6-12-20(18)23(21)15-17-8-3-2-4-9-17/h2-6,8-12,14H,7,13,15-16H2,1H3
InChIKey
WWQAZBLQODUMPX-UHFFFAOYSA-N
Compound name
1-benzyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.17828 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18556 173.6
[M+Na]+ 325.16750 181.6
[M-H]- 301.17100 181.3
[M+NH4]+ 320.21210 188.4
[M+K]+ 341.14144 174.4
[M+H-H2O]+ 285.17554 163.1
[M+HCOO]- 347.17648 193.2
[M+CH3COO]- 361.19213 184.4
[M+Na-2H]- 323.15295 176.8
[M]+ 302.17773 172.5
[M]- 302.17883 172.5
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.