CID 441107

6-methylpretetramide(1-)

Structural Information

Molecular Formula
C20H15NO6
SMILES
CC1=C2C=CC=C(C2=C(C3=C1C=C4C=C(C(=C(C4=C3O)O)C(=O)N)O)O)O
InChI
InChI=1S/C20H15NO6/c1-7-9-3-2-4-11(22)14(9)19(26)15-10(7)5-8-6-12(23)16(20(21)27)18(25)13(8)17(15)24/h2-6,22-26H,1H3,(H2,21,27)
InChIKey
WBDQDVXPSGTJAV-UHFFFAOYSA-N
Compound name
1,3,10,11,12-pentahydroxy-6-methyltetracene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

16
Patents

365.08994 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09722 182.4
[M+Na]+ 388.07916 193.3
[M-H]- 364.08266 183.8
[M+NH4]+ 383.12376 194.8
[M+K]+ 404.05310 188.3
[M+H-H2O]+ 348.08720 175.7
[M+HCOO]- 410.08814 196.1
[M+CH3COO]- 424.10379 191.9
[M+Na-2H]- 386.06461 185.3
[M]+ 365.08939 184.3
[M]- 365.09049 184.3
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.