CID 10220187

As-601811

Structural Information

Molecular Formula
C15H17NO
SMILES
CC1=CC2=C(C=C1)N3CCC(=O)C(=C3CC2)C
InChI
InChI=1S/C15H17NO/c1-10-3-5-14-12(9-10)4-6-13-11(2)15(17)7-8-16(13)14/h3,5,9H,4,6-8H2,1-2H3
InChIKey
SNEPAAKJPPNOQM-UHFFFAOYSA-N
Compound name
4,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

55
Patents

227.13101 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.138286 150.9
[M+Na]+ 250.120228 159.3
[M-H]- 226.123734 154.7
[M+NH4]+ 245.164833 170.2
[M+K]+ 266.094168 154.8
[M+H-H2O]+ 210.128270 143.5
[M+HCOO]- 272.129211 167.7
[M+CH3COO]- 286.144861 162.9
[M+Na-2H]- 248.105676 156.3
[M]+ 227.13046142 148.7
[M]- 227.13155858 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe