CID 170699

42887-24-1

Structural Information

Molecular Formula
C34H34N2O2
SMILES
CCCCC1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC=C(C=C5)CCCC
InChI
InChI=1S/C34H34N2O2/c1-3-5-9-23-15-19-25(20-16-23)35-29-13-7-11-27-31(29)33(37)28-12-8-14-30(32(28)34(27)38)36-26-21-17-24(18-22-26)10-6-4-2/h7-8,11-22,35-36H,3-6,9-10H2,1-2H3
InChIKey
GRXYPNCZCDBAOC-UHFFFAOYSA-N
Compound name
1,5-bis(4-butylanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

502.26202 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.26930 232.0
[M+Na]+ 525.25124 248.8
[M+NH4]+ 520.29584 240.1
[M+K]+ 541.22518 235.7
[M-H]- 501.25474 241.8
[M+Na-2H]- 523.23669 240.7
[M]+ 502.26147 237.5
[M]- 502.26257 237.5
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