CID 209875

1h-pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-isopentyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-

Structural Information

Molecular Formula
C25H33N3
SMILES
CC1=CC2=C(C=C1)N(C3=C2CN(CC3)CCC(C)C)CCC4=CN=C(C=C4)C
InChI
InChI=1S/C25H33N3/c1-18(2)9-12-27-13-11-25-23(17-27)22-15-19(3)5-8-24(22)28(25)14-10-21-7-6-20(4)26-16-21/h5-8,15-16,18H,9-14,17H2,1-4H3
InChIKey
CWZJMLAOUVDGTH-UHFFFAOYSA-N
Compound name
8-methyl-2-(3-methylbutyl)-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.26746 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.27474 199.7
[M+Na]+ 398.25668 207.1
[M-H]- 374.26018 203.6
[M+NH4]+ 393.30128 211.8
[M+K]+ 414.23062 199.3
[M+H-H2O]+ 358.26472 188.5
[M+HCOO]- 420.26566 213.7
[M+CH3COO]- 434.28131 208.0
[M+Na-2H]- 396.24213 198.4
[M]+ 375.26691 201.8
[M]- 375.26801 201.8
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.