CID 106025

Solvent blue 122

Structural Information

Molecular Formula
C22H16N2O4
SMILES
CC(=O)NC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H16N2O4/c1-12(25)23-13-6-8-14(9-7-13)24-17-10-11-18(26)20-19(17)21(27)15-4-2-3-5-16(15)22(20)28/h2-11,24,26H,1H3,(H,23,25)
InChIKey
DAPGHBPTUCXSRG-UHFFFAOYSA-N
Compound name
N-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

173
Patents

372.111 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11828 184.3
[M+Na]+ 395.10022 192.1
[M-H]- 371.10372 191.9
[M+NH4]+ 390.14482 197.0
[M+K]+ 411.07416 186.8
[M+H-H2O]+ 355.10826 175.2
[M+HCOO]- 417.10920 204.4
[M+CH3COO]- 431.12485 223.9
[M+Na-2H]- 393.08567 188.9
[M]+ 372.11045 184.2
[M]- 372.11155 184.2
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