CID 360992

Nsc623724

Structural Information

Molecular Formula
C20H16N2S2
SMILES
CN1C(=C2C(=C(N(C2=S)C)C3=CC=CC=C3)C1=S)C4=CC=CC=C4
InChI
InChI=1S/C20H16N2S2/c1-21-17(13-9-5-3-6-10-13)15-16(19(21)23)18(22(2)20(15)24)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey
GENXCIUDVJPPNH-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1,4-diphenylpyrrolo[3,4-c]pyrrole-3,6-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

348.0755 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.08278 181.7
[M+Na]+ 371.06472 195.2
[M-H]- 347.06822 191.6
[M+NH4]+ 366.10932 199.2
[M+K]+ 387.03866 186.8
[M+H-H2O]+ 331.07276 176.0
[M+HCOO]- 393.07370 193.7
[M+CH3COO]- 407.08935 193.8
[M+Na-2H]- 369.05017 176.7
[M]+ 348.07495 185.9
[M]- 348.07605 185.9
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

patents stripe