CID 3049871

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

Structural Information

Molecular Formula
C15H16N2O
SMILES
CC1=CC2=C(C=C1)N3C(=O)CCC4C3=C2CCN4
InChI
InChI=1S/C15H16N2O/c1-9-2-4-13-11(8-9)10-6-7-16-12-3-5-14(18)17(13)15(10)12/h2,4,8,12,16H,3,5-7H2,1H3
InChIKey
OOIUZRSNRZAUIR-UHFFFAOYSA-N
Compound name
12-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.133546 154.2
[M+Na]+ 263.115488 163.3
[M-H]- 239.118994 155.8
[M+NH4]+ 258.160093 173.9
[M+K]+ 279.089428 157.1
[M+H-H2O]+ 223.123530 146.6
[M+HCOO]- 285.124471 168.8
[M+CH3COO]- 299.140121 165.5
[M+Na-2H]- 261.100936 159.2
[M]+ 240.12572142 152.2
[M]- 240.12681858 152.2
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

patents stripe