CID 3049880

1h-indolo(3,2,1-de)(1,5)naphthyridine, 2,3,3a,4,5,6-hexahydro-3-ethyl-6-methyl-, methanesulfonate

Structural Information

Molecular Formula
C17H22N2
SMILES
CCN1CCC2=C3C1CCC(N3C4=CC=CC=C24)C
InChI
InChI=1S/C17H22N2/c1-3-18-11-10-14-13-6-4-5-7-15(13)19-12(2)8-9-16(18)17(14)19/h4-7,12,16H,3,8-11H2,1-2H3
InChIKey
VOTSERBWYUTDAN-UHFFFAOYSA-N
Compound name
6-ethyl-2-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.185576 161.4
[M+Na]+ 277.167518 169.8
[M-H]- 253.171024 163.8
[M+NH4]+ 272.212123 181.3
[M+K]+ 293.141458 164.0
[M+H-H2O]+ 237.175560 153.0
[M+HCOO]- 299.176501 176.3
[M+CH3COO]- 313.192151 172.5
[M+Na-2H]- 275.152966 165.4
[M]+ 254.17775142 160.9
[M]- 254.17884858 160.9
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.