CID 365593

1h-pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-((diethylamino)acetyl)-1-(3-pyridinyl)-

Structural Information

Molecular Formula
C22H26N4O
SMILES
CCN(CC)CC(=O)N1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24
InChI
InChI=1S/C22H26N4O/c1-3-25(4-2)15-20(27)26-13-11-18-17-9-5-6-10-19(17)24-21(18)22(26)16-8-7-12-23-14-16/h5-10,12,14,22,24H,3-4,11,13,15H2,1-2H3
InChIKey
CJPWNBNMOISVOL-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.21066 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.217936 189.3
[M+Na]+ 385.199878 195.2
[M-H]- 361.203384 193.2
[M+NH4]+ 380.244483 200.9
[M+K]+ 401.173818 188.8
[M+H-H2O]+ 345.207920 178.4
[M+HCOO]- 407.208861 205.0
[M+CH3COO]- 421.224511 197.7
[M+Na-2H]- 383.185326 191.3
[M]+ 362.21011142 189.2
[M]- 362.21120858 189.2
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.