CID 135416229

1025821-33-3

Structural Information

Molecular Formula
C18H10Cl2N4OS
SMILES
C1=CC(=C(C(=C1)Cl)N=C2NC(=O)/C(=C/C3=CC4=NC=CN=C4C=C3)/S2)Cl
InChI
InChI=1S/C18H10Cl2N4OS/c19-11-2-1-3-12(20)16(11)23-18-24-17(25)15(26-18)9-10-4-5-13-14(8-10)22-7-6-21-13/h1-9H,(H,23,24,25)/b15-9-
InChIKey
RJPNRXFBYZVRIB-DHDCSXOGSA-N
Compound name
(5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

19
Patents

399.99524 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.00252 191.0
[M+Na]+ 422.98446 202.4
[M-H]- 398.98796 197.5
[M+NH4]+ 418.02906 202.6
[M+K]+ 438.95840 192.7
[M+H-H2O]+ 382.99250 182.1
[M+HCOO]- 444.99344 196.2
[M+CH3COO]- 459.00909 200.2
[M+Na-2H]- 420.96991 190.5
[M]+ 399.99469 193.3
[M]- 399.99579 193.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe