CID 620047

82605-35-4

Structural Information

Molecular Formula
C18H24N2
SMILES
CC1CCC2(C3=C(CCN2C1)C4=CC=CC=C4N3C)C
InChI
InChI=1S/C18H24N2/c1-13-8-10-18(2)17-15(9-11-20(18)12-13)14-6-4-5-7-16(14)19(17)3/h4-7,13H,8-12H2,1-3H3
InChIKey
MSXQRQHGKWQLBE-UHFFFAOYSA-N
Compound name
3,12,12b-trimethyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.19394 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20122 166.1
[M+Na]+ 291.18316 175.4
[M-H]- 267.18666 169.4
[M+NH4]+ 286.22776 187.2
[M+K]+ 307.15710 169.1
[M+H-H2O]+ 251.19120 157.3
[M+HCOO]- 313.19214 180.6
[M+CH3COO]- 327.20779 177.2
[M+Na-2H]- 289.16861 170.0
[M]+ 268.19339 164.3
[M]- 268.19449 164.3
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