CID 174177

79665-35-3

Structural Information

Molecular Formula
C35H22N2O4
SMILES
CC1=C(C=C(C=C1)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O
InChI
InChI=1S/C35H22N2O4/c1-19-16-17-20(36-27-14-6-12-25-30(27)34(40)23-10-4-2-8-21(23)32(25)38)18-29(19)37-28-15-7-13-26-31(28)35(41)24-11-5-3-9-22(24)33(26)39/h2-18,36-37H,1H3
InChIKey
YPAAQIDLHHHJAY-UHFFFAOYSA-N
Compound name
1-[3-[(9,10-dioxoanthracen-1-yl)amino]-4-methylanilino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

534.15796 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.16524 232.8
[M+Na]+ 557.14718 251.9
[M+NH4]+ 552.19178 241.2
[M+K]+ 573.12112 239.4
[M-H]- 533.15068 243.4
[M+Na-2H]- 555.13263 240.9
[M]+ 534.15741 238.9
[M]- 534.15851 238.9
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

No patent data available for this compound.