CID 373013

Nsc648804

Structural Information

Molecular Formula
C19H17NO4
SMILES
CC1CC(NC2=C1C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)C
InChI
InChI=1S/C19H17NO4/c1-8-7-9(2)20-15-12(8)18(23)13-14(19(15)24)17(22)11-6-4-3-5-10(11)16(13)21/h3-6,8-9,20,23-24H,7H2,1-2H3
InChIKey
ZOHJFIQSLWQCOO-UHFFFAOYSA-N
Compound name
5,12-dihydroxy-2,4-dimethyl-1,2,3,4-tetrahydronaphtho[2,3-g]quinoline-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 174.4
[M+Na]+ 346.10497 184.2
[M-H]- 322.10847 176.0
[M+NH4]+ 341.14957 189.0
[M+K]+ 362.07891 177.7
[M+H-H2O]+ 306.11301 167.2
[M+HCOO]- 368.11395 185.3
[M+CH3COO]- 382.12960 184.0
[M+Na-2H]- 344.09042 176.9
[M]+ 323.11520 172.4
[M]- 323.11630 172.4
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.