CID 365603

Nsc633404

Structural Information

Molecular Formula
C21H24N4O
SMILES
CN(C)CCC(=O)N1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24
InChI
InChI=1S/C21H24N4O/c1-24(2)12-10-19(26)25-13-9-17-16-7-3-4-8-18(16)23-20(17)21(25)15-6-5-11-22-14-15/h3-8,11,14,21,23H,9-10,12-13H2,1-2H3
InChIKey
YZJNMSAVSZFSRX-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-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

348.195 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20228 184.8
[M+Na]+ 371.18422 191.2
[M-H]- 347.18772 189.0
[M+NH4]+ 366.22882 197.0
[M+K]+ 387.15816 185.1
[M+H-H2O]+ 331.19226 174.1
[M+HCOO]- 393.19320 200.9
[M+CH3COO]- 407.20885 193.7
[M+Na-2H]- 369.16967 187.4
[M]+ 348.19445 184.5
[M]- 348.19555 184.5
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.