CID 3083943

Tolquinzole

Structural Information

Molecular Formula
C16H23NO
SMILES
CCC1(CCN2CCC3=C(C2C1)C=C(C=C3)C)O
InChI
InChI=1S/C16H23NO/c1-3-16(18)7-9-17-8-6-13-5-4-12(2)10-14(13)15(17)11-16/h4-5,10,15,18H,3,6-9,11H2,1-2H3
InChIKey
XGCBETZGOIOAKF-UHFFFAOYSA-N
Compound name
2-ethyl-10-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

245.17796 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.185236 159.3
[M+Na]+ 268.167178 165.7
[M-H]- 244.170684 161.0
[M+NH4]+ 263.211783 178.9
[M+K]+ 284.141118 161.0
[M+H-H2O]+ 228.175220 151.9
[M+HCOO]- 290.176161 172.6
[M+CH3COO]- 304.191811 169.6
[M+Na-2H]- 266.152626 164.2
[M]+ 245.17741142 154.8
[M]- 245.17850858 154.8
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.