CID 77607

9,10-anthracenedione, 1-hydroxy-4-((4-(2-oxo-1-pyrrolidinyl)phenyl)amino)-

Structural Information

Molecular Formula
C24H18N2O4
SMILES
C1CC(=O)N(C1)C2=CC=C(C=C2)NC3=C4C(=C(C=C3)O)C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C24H18N2O4/c27-19-12-11-18(21-22(19)24(30)17-5-2-1-4-16(17)23(21)29)25-14-7-9-15(10-8-14)26-13-3-6-20(26)28/h1-2,4-5,7-12,25,27H,3,6,13H2
InChIKey
CKCZFCLSIOQPLM-UHFFFAOYSA-N
Compound name
1-hydroxy-4-[4-(2-oxopyrrolidin-1-yl)anilino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.12665 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13393 192.9
[M+Na]+ 421.11587 200.8
[M-H]- 397.11937 202.1
[M+NH4]+ 416.16047 204.9
[M+K]+ 437.08981 193.8
[M+H-H2O]+ 381.12391 183.1
[M+HCOO]- 443.12485 210.0
[M+CH3COO]- 457.14050 202.2
[M+Na-2H]- 419.10132 193.6
[M]+ 398.12610 191.0
[M]- 398.12720 191.0
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.