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

13
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

literature stripe

Patent stripe

patents stripe