CID 41142

Ra(sub 19)

Structural Information

Molecular Formula
C18H22N2O3S2
SMILES
CCN(CC)CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)SCCS3
InChI
InChI=1S/C18H22N2O3S2/c1-3-19(4-2)9-10-23-14-7-5-13(6-8-14)20-17(21)15-16(18(20)22)25-12-11-24-15/h5-8H,3-4,9-12H2,1-2H3
InChIKey
NBIOCRXKGOKSEY-UHFFFAOYSA-N
Compound name
6-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.10718 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11446 186.0
[M+Na]+ 401.09640 192.4
[M-H]- 377.09990 192.4
[M+NH4]+ 396.14100 200.6
[M+K]+ 417.07034 187.7
[M+H-H2O]+ 361.10444 178.8
[M+HCOO]- 423.10538 196.0
[M+CH3COO]- 437.12103 220.2
[M+Na-2H]- 399.08185 183.7
[M]+ 378.10663 190.9
[M]- 378.10773 190.9
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.