CID 85207

15958-68-6

Structural Information

Molecular Formula
C26H30N2O2
SMILES
C1CCC(CC1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5CCCCC5
InChI
InChI=1S/C26H30N2O2/c29-25-20-14-8-16-22(28-18-11-5-2-6-12-18)24(20)26(30)19-13-7-15-21(23(19)25)27-17-9-3-1-4-10-17/h7-8,13-18,27-28H,1-6,9-12H2
InChIKey
QSNJWMJODWUDPJ-UHFFFAOYSA-N
Compound name
1,5-bis(cyclohexylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

110
Patents

402.23074 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.23802 193.8
[M+Na]+ 425.21996 194.9
[M-H]- 401.22346 202.2
[M+NH4]+ 420.26456 204.6
[M+K]+ 441.19390 188.1
[M+H-H2O]+ 385.22800 182.6
[M+HCOO]- 447.22894 207.0
[M+CH3COO]- 461.24459 200.3
[M+Na-2H]- 423.20541 194.6
[M]+ 402.23019 183.5
[M]- 402.23129 183.5
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