CID 365604

Nsc633405

Structural Information

Molecular Formula
C23H28N4O
SMILES
CCN(CC)CCC(=O)N1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24
InChI
InChI=1S/C23H28N4O/c1-3-26(4-2)14-12-21(28)27-15-11-19-18-9-5-6-10-20(18)25-22(19)23(27)17-8-7-13-24-16-17/h5-10,13,16,23,25H,3-4,11-12,14-15H2,1-2H3
InChIKey
ONNLRBDNEMAAHA-UHFFFAOYSA-N
Compound name
3-(diethylamino)-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.22632 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.23360 193.7
[M+Na]+ 399.21554 199.2
[M-H]- 375.21904 197.4
[M+NH4]+ 394.26014 204.7
[M+K]+ 415.18948 192.6
[M+H-H2O]+ 359.22358 182.6
[M+HCOO]- 421.22452 209.1
[M+CH3COO]- 435.24017 201.6
[M+Na-2H]- 397.20099 195.2
[M]+ 376.22577 193.9
[M]- 376.22687 193.9
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.