CID 737089

8-hydroxy-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinoline-9-carboxaldehyde

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC1(CCN2CCC(C3=C(C(=CC1=C32)C=O)O)(C)C)C
InChI
InChI=1S/C17H23NO2/c1-16(2)5-7-18-8-6-17(3,4)13-14(18)12(16)9-11(10-19)15(13)20/h9-10,20H,5-8H2,1-4H3
InChIKey
ZBVWJSQPIHQKQJ-UHFFFAOYSA-N
Compound name
6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

273.17288 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 164.5
[M+Na]+ 296.16210 173.5
[M-H]- 272.16560 166.6
[M+NH4]+ 291.20670 185.9
[M+K]+ 312.13604 169.1
[M+H-H2O]+ 256.17014 158.0
[M+HCOO]- 318.17108 177.8
[M+CH3COO]- 332.18673 201.6
[M+Na-2H]- 294.14755 169.5
[M]+ 273.17233 164.3
[M]- 273.17343 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

literature stripe

Patent stripe

patents stripe