CID 85390

16388-74-2

Structural Information

Molecular Formula
C24H23N3O2S
SMILES
CN(C)CCSC1=C(C2=C(C(=C1)NC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)N
InChI
InChI=1S/C24H23N3O2S/c1-27(2)12-13-30-19-14-18(26-15-8-4-3-5-9-15)20-21(22(19)25)24(29)17-11-7-6-10-16(17)23(20)28/h3-11,14,26H,12-13,25H2,1-2H3
InChIKey
MKHJJUBOMCBUMW-UHFFFAOYSA-N
Compound name
1-amino-4-anilino-2-[2-(dimethylamino)ethylsulfanyl]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.1511 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.15838 198.3
[M+Na]+ 440.14032 211.8
[M+NH4]+ 435.18492 206.8
[M+K]+ 456.11426 200.9
[M-H]- 416.14382 205.9
[M+Na-2H]- 438.12577 205.7
[M]+ 417.15055 202.9
[M]- 417.15165 202.9
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.