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

0
Patents

240.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 154.2
[M+Na]+ 263.11549 163.3
[M-H]- 239.11899 155.8
[M+NH4]+ 258.16009 173.9
[M+K]+ 279.08943 157.1
[M+H-H2O]+ 223.12353 146.6
[M+HCOO]- 285.12447 168.8
[M+CH3COO]- 299.14012 165.5
[M+Na-2H]- 261.10094 159.2
[M]+ 240.12572 152.2
[M]- 240.12682 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