CID 372838

Nsc648496

Structural Information

Molecular Formula
C23H19N3OS
SMILES
CC1C(=O)N(C(S1)C2=CC=CC=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53
InChI
InChI=1S/C23H19N3OS/c1-15-22(27)26(23(28-15)16-9-3-2-4-10-16)25-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21/h2-15,23H,1H3,(H,24,25)
InChIKey
NMQHAXOMRNMCCO-UHFFFAOYSA-N
Compound name
3-(acridin-9-ylamino)-5-methyl-2-phenyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.12488 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.13216 189.9
[M+Na]+ 408.11410 200.0
[M-H]- 384.11760 199.3
[M+NH4]+ 403.15870 203.0
[M+K]+ 424.08804 191.7
[M+H-H2O]+ 368.12214 180.3
[M+HCOO]- 430.12308 205.4
[M+CH3COO]- 444.13873 200.1
[M+Na-2H]- 406.09955 192.6
[M]+ 385.12433 192.0
[M]- 385.12543 192.0
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.