CID 62618

Solvent blue 101

Structural Information

Molecular Formula
C28H22N2O2
SMILES
CC1=CC=CC=C1NC2=C3C(=C(C=C2)NC4=CC=CC=C4C)C(=O)C5=CC=CC=C5C3=O
InChI
InChI=1S/C28H22N2O2/c1-17-9-3-7-13-21(17)29-23-15-16-24(30-22-14-8-4-10-18(22)2)26-25(23)27(31)19-11-5-6-12-20(19)28(26)32/h3-16,29-30H,1-2H3
InChIKey
OLJXWJUQRAOAMD-UHFFFAOYSA-N
Compound name
1,4-bis(2-methylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

708
Patents

418.16812 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17540 202.6
[M+Na]+ 441.15734 210.5
[M-H]- 417.16084 213.9
[M+NH4]+ 436.20194 213.7
[M+K]+ 457.13128 202.8
[M+H-H2O]+ 401.16538 191.0
[M+HCOO]- 463.16632 223.4
[M+CH3COO]- 477.18197 211.8
[M+Na-2H]- 439.14279 206.5
[M]+ 418.16757 202.1
[M]- 418.16867 202.1
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