CID 12305708

Pretetramide

Structural Information

Molecular Formula
C19H13NO6
SMILES
C1=CC2=CC3=CC4=CC(=C(C(=C4C(=C3C(=C2C(=C1)O)O)O)O)C(=O)N)O
InChI
InChI=1S/C19H13NO6/c20-19(26)15-11(22)6-9-5-8-4-7-2-1-3-10(21)12(7)16(23)13(8)17(24)14(9)18(15)25/h1-6,21-25H,(H2,20,26)
InChIKey
ZZAJNFHIGVVCFT-UHFFFAOYSA-N
Compound name
1,3,10,11,12-pentahydroxytetracene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

20
Patents

351.07428 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08156 176.7
[M+Na]+ 374.06350 187.4
[M-H]- 350.06700 178.1
[M+NH4]+ 369.10810 189.5
[M+K]+ 390.03744 182.3
[M+H-H2O]+ 334.07154 170.1
[M+HCOO]- 396.07248 191.0
[M+CH3COO]- 410.08813 186.5
[M+Na-2H]- 372.04895 181.0
[M]+ 351.07373 178.0
[M]- 351.07483 178.0
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