CID 365600

Nsc633401

Structural Information

Molecular Formula
C23H28N4
SMILES
C1CCN(CC1)CCN2CCC3=C(C2C4=CN=CC=C4)NC5=CC=CC=C35
InChI
InChI=1S/C23H28N4/c1-4-12-26(13-5-1)15-16-27-14-10-20-19-8-2-3-9-21(19)25-22(20)23(27)18-7-6-11-24-17-18/h2-3,6-9,11,17,23,25H,1,4-5,10,12-16H2
InChIKey
DERUGECTQBSXDP-UHFFFAOYSA-N
Compound name
2-(2-piperidin-1-ylethyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.23138 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.23866 189.4
[M+Na]+ 383.22060 194.0
[M-H]- 359.22410 192.4
[M+NH4]+ 378.26520 198.5
[M+K]+ 399.19454 184.9
[M+H-H2O]+ 343.22864 176.3
[M+HCOO]- 405.22958 199.3
[M+CH3COO]- 419.24523 195.8
[M+Na-2H]- 381.20605 190.5
[M]+ 360.23083 182.4
[M]- 360.23193 182.4
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

No patent data available for this compound.