CID 13891860

Anaxagoreine

Structural Information

Molecular Formula
C17H17NO3
SMILES
COC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3O)O
InChI
InChI=1S/C17H17NO3/c1-21-17-12(19)8-9-6-7-18-15-13(9)14(17)10-4-2-3-5-11(10)16(15)20/h2-5,8,15-16,18-20H,6-7H2,1H3
InChIKey
QDXOCDFPAQQYKD-UHFFFAOYSA-N
Compound name
1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

283.12085 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 163.9
[M+Na]+ 306.11007 171.6
[M-H]- 282.11357 164.0
[M+NH4]+ 301.15467 179.9
[M+K]+ 322.08401 165.6
[M+H-H2O]+ 266.11811 156.4
[M+HCOO]- 328.11905 175.2
[M+CH3COO]- 342.13470 173.4
[M+Na-2H]- 304.09552 169.8
[M]+ 283.12030 161.7
[M]- 283.12140 161.7
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