CID 3049876

6-methyl-3-propyl-2,3,3a,4,5,6-hexahydro-1h-indolo(3,2,1-de)(1,5)naphthyridin-6-ol

Structural Information

Molecular Formula
C18H24N2O
SMILES
CCCN1CCC2=C3C1CCC(N3C4=CC=CC=C24)(C)O
InChI
InChI=1S/C18H24N2O/c1-3-11-19-12-9-14-13-6-4-5-7-15(13)20-17(14)16(19)8-10-18(20,2)21/h4-7,16,21H,3,8-12H2,1-2H3
InChIKey
ZHFSWFVBQUOWTF-UHFFFAOYSA-N
Compound name
2-methyl-6-propyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.18887 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.196146 169.7
[M+Na]+ 307.178088 178.3
[M-H]- 283.181594 171.0
[M+NH4]+ 302.222693 189.7
[M+K]+ 323.152028 172.1
[M+H-H2O]+ 267.186130 161.4
[M+HCOO]- 329.187071 183.0
[M+CH3COO]- 343.202721 180.0
[M+Na-2H]- 305.163536 173.9
[M]+ 284.18832142 169.6
[M]- 284.18941858 169.6
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.