CID 23424039

Schembl193067

Structural Information

Molecular Formula
C21H23NO6
SMILES
CC1(C2CC3C(C(=O)C=C(C3(C(=O)C2=C(C4=CC=CC=C41)O)O)O)N(C)C)O
InChI
InChI=1S/C21H23NO6/c1-20(27)11-7-5-4-6-10(11)18(25)16-12(20)8-13-17(22(2)3)14(23)9-15(24)21(13,28)19(16)26/h4-7,9,12-13,17,24-25,27-28H,8H2,1-3H3
InChIKey
PJTSGVDPBPALGM-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-4,4a,6,11-tetrahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

918
Patents

385.15253 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.159806 186.1
[M+Na]+ 408.141748 194.6
[M-H]- 384.145254 188.5
[M+NH4]+ 403.186353 202.9
[M+K]+ 424.115688 191.1
[M+H-H2O]+ 368.149790 180.0
[M+HCOO]- 430.150731 196.1
[M+CH3COO]- 444.166381 222.5
[M+Na-2H]- 406.127196 189.5
[M]+ 385.15198142 185.6
[M]- 385.15307858 185.6
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