CID 209866

20674-92-4

Structural Information

Molecular Formula
C22H27N3
SMILES
CCCN1CCC2=C(C1)C3=CC=CC=C3N2CCC4=CN=C(C=C4)C
InChI
InChI=1S/C22H27N3/c1-3-12-24-13-11-22-20(16-24)19-6-4-5-7-21(19)25(22)14-10-18-9-8-17(2)23-15-18/h4-9,15H,3,10-14,16H2,1-2H3
InChIKey
AUTKYOXHJKNPPC-UHFFFAOYSA-N
Compound name
5-[2-(6-methylpyridin-3-yl)ethyl]-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

333.2205 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.22778 185.4
[M+Na]+ 356.20972 193.7
[M-H]- 332.21322 189.4
[M+NH4]+ 351.25432 199.1
[M+K]+ 372.18366 186.0
[M+H-H2O]+ 316.21776 174.4
[M+HCOO]- 378.21870 201.6
[M+CH3COO]- 392.23435 194.9
[M+Na-2H]- 354.19517 187.6
[M]+ 333.21995 186.7
[M]- 333.22105 186.7
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

patents stripe