CID 106355

68003-43-0

Structural Information

Molecular Formula
C23H24N2O4
SMILES
C1CCC(CC1)NC2=C3C(=C(C=C2)NCCC(=O)O)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C23H24N2O4/c26-19(27)12-13-24-17-10-11-18(25-14-6-2-1-3-7-14)21-20(17)22(28)15-8-4-5-9-16(15)23(21)29/h4-5,8-11,14,24-25H,1-3,6-7,12-13H2,(H,26,27)
InChIKey
XYEVKYLQCGMFEH-UHFFFAOYSA-N
Compound name
3-[[4-(cyclohexylamino)-9,10-dioxoanthracen-1-yl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1736 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18088 192.7
[M+Na]+ 415.16282 203.4
[M+NH4]+ 410.20742 199.4
[M+K]+ 431.13676 196.1
[M-H]- 391.16632 197.3
[M+Na-2H]- 413.14827 196.6
[M]+ 392.17305 195.2
[M]- 392.17415 195.2
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

No patent data available for this compound.