CID 365593

Nsc633394

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]+ 363.21794 189.3
[M+Na]+ 385.19988 195.2
[M-H]- 361.20338 193.2
[M+NH4]+ 380.24448 200.9
[M+K]+ 401.17382 188.8
[M+H-H2O]+ 345.20792 178.4
[M+HCOO]- 407.20886 205.0
[M+CH3COO]- 421.22451 197.7
[M+Na-2H]- 383.18533 191.3
[M]+ 362.21011 189.2
[M]- 362.21121 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.