CID 75417

Vat red 10

Structural Information

Molecular Formula
C29H14N2O5
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C4=NC5=C(O4)C=C6C(=C5)C(=O)C7=CC=CC=C7C6=O)N
InChI
InChI=1S/C29H14N2O5/c30-24-18(10-9-17-23(24)28(35)16-8-4-3-7-15(16)25(17)32)29-31-21-11-19-20(12-22(21)36-29)27(34)14-6-2-1-5-13(14)26(19)33/h1-12H,30H2
InChIKey
RHEVAQGXLUQWBM-UHFFFAOYSA-N
Compound name
2-(1-amino-9,10-dioxoanthracen-2-yl)naphtho[2,3-f][1,3]benzoxazole-5,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

243
Patents

470.09027 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.09755 213.5
[M+Na]+ 493.07949 232.6
[M+NH4]+ 488.12409 221.8
[M+K]+ 509.05343 224.5
[M-H]- 469.08299 221.9
[M+Na-2H]- 491.06494 217.9
[M]+ 470.08972 218.9
[M]- 470.09082 218.9
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