CID 204538

16566-81-7

Structural Information

Molecular Formula
C22H27N3
SMILES
CCCCN1CCC2=C(C1)C3=CC=CC=C3N2CCC4=CC=CC=N4
InChI
InChI=1S/C22H27N3/c1-2-3-14-24-15-12-22-20(17-24)19-9-4-5-10-21(19)25(22)16-11-18-8-6-7-13-23-18/h4-10,13H,2-3,11-12,14-17H2,1H3
InChIKey
KZFPWXSBIIEYLC-UHFFFAOYSA-N
Compound name
2-butyl-5-(2-pyridin-2-ylethyl)-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 184.5
[M+Na]+ 356.20972 191.9
[M-H]- 332.21322 188.0
[M+NH4]+ 351.25432 197.8
[M+K]+ 372.18366 184.2
[M+H-H2O]+ 316.21776 173.2
[M+HCOO]- 378.21870 200.7
[M+CH3COO]- 392.23435 193.6
[M+Na-2H]- 354.19517 187.5
[M]+ 333.21995 185.4
[M]- 333.22105 185.4
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