CID 3069082

Azepino(3,4-b)indol-1(2h)-one, 3,4,5,10-tetrahydro-10-(3-(dimethylamino)propyl)-

Structural Information

Molecular Formula
C17H23N3O
SMILES
CN(C)CCCN1C2=CC=CC=C2C3=C1C(=O)NCCC3
InChI
InChI=1S/C17H23N3O/c1-19(2)11-6-12-20-15-9-4-3-7-13(15)14-8-5-10-18-17(21)16(14)20/h3-4,7,9H,5-6,8,10-12H2,1-2H3,(H,18,21)
InChIKey
DNNPBMOUDGYWJF-UHFFFAOYSA-N
Compound name
10-[3-(dimethylamino)propyl]-2,3,4,5-tetrahydroazepino[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1841 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.191376 167.1
[M+Na]+ 308.173318 173.7
[M-H]- 284.176824 171.2
[M+NH4]+ 303.217923 183.2
[M+K]+ 324.147258 172.6
[M+H-H2O]+ 268.181360 159.3
[M+HCOO]- 330.182301 185.4
[M+CH3COO]- 344.197951 177.5
[M+Na-2H]- 306.158766 170.4
[M]+ 285.18355142 165.3
[M]- 285.18464858 165.3
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.