CID 163581

89930-59-6

Structural Information

Molecular Formula
C19H24N2
SMILES
CCCN1C=C2C[C@@H]3[C@H](C=C(CN3C)C)C4=C2C1=CC=C4
InChI
InChI=1S/C19H24N2/c1-4-8-21-12-14-10-18-16(9-13(2)11-20(18)3)15-6-5-7-17(21)19(14)15/h5-7,9,12,16,18H,4,8,10-11H2,1-3H3/t16-,18-/m1/s1
InChIKey
BHVLXRUVIPEIKP-SJLPKXTDSA-N
Compound name
(6aR,10aR)-7,9-dimethyl-4-propyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.19394 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.201216 170.2
[M+Na]+ 303.183158 179.7
[M-H]- 279.186664 173.0
[M+NH4]+ 298.227763 189.4
[M+K]+ 319.157098 173.1
[M+H-H2O]+ 263.191200 161.7
[M+HCOO]- 325.192141 185.8
[M+CH3COO]- 339.207791 181.2
[M+Na-2H]- 301.168606 173.4
[M]+ 280.19339142 172.2
[M]- 280.19448858 172.2
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