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]+ 246.18524 159.3
[M+Na]+ 268.16718 165.7
[M-H]- 244.17068 161.0
[M+NH4]+ 263.21178 178.9
[M+K]+ 284.14112 161.0
[M+H-H2O]+ 228.17522 151.9
[M+HCOO]- 290.17616 172.6
[M+CH3COO]- 304.19181 169.6
[M+Na-2H]- 266.15263 164.2
[M]+ 245.17741 154.8
[M]- 245.17851 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.