CID 100075

Magr

Structural Information

Molecular Formula
C17H20N2
SMILES
CC1=CC2C(CC3=CN(C4=CC=CC2=C34)C)N(C1)C
InChI
InChI=1S/C17H20N2/c1-11-7-14-13-5-4-6-15-17(13)12(10-19(15)3)8-16(14)18(2)9-11/h4-7,10,14,16H,8-9H2,1-3H3
InChIKey
ISLKAYNJMFACBB-UHFFFAOYSA-N
Compound name
4,7,9-trimethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

252.16264 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16992 160.7
[M+Na]+ 275.15186 171.1
[M-H]- 251.15536 164.0
[M+NH4]+ 270.19646 181.1
[M+K]+ 291.12580 165.1
[M+H-H2O]+ 235.15990 152.7
[M+HCOO]- 297.16084 177.1
[M+CH3COO]- 311.17649 172.7
[M+Na-2H]- 273.13731 165.1
[M]+ 252.16209 162.1
[M]- 252.16319 162.1
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