CID 197033

Dimebolin

Structural Information

Molecular Formula
C21H25N3
SMILES
CC1=CC2=C(C=C1)N(C3=C2CN(CC3)C)CCC4=CN=C(C=C4)C
InChI
InChI=1S/C21H25N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13H,8-11,14H2,1-3H3
InChIKey
JNODQFNWMXFMEV-UHFFFAOYSA-N
Compound name
2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

132
References

5413
Patents

319.20483 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.21211 180.3
[M+Na]+ 342.19405 197.1
[M+NH4]+ 337.23865 189.5
[M+K]+ 358.16799 188.8
[M-H]- 318.19755 185.2
[M+Na-2H]- 340.17950 187.4
[M]+ 319.20428 184.4
[M]- 319.20538 184.4
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