CID 135704092

Brn 5634451

Structural Information

Molecular Formula
C19H24N4S2
SMILES
CCC1=CC2=C(S1)NC3=C(C=C(C=C3)SC)N=C2N4CCN(CC4)C
InChI
InChI=1S/C19H24N4S2/c1-4-13-11-15-18(23-9-7-22(2)8-10-23)20-17-12-14(24-3)5-6-16(17)21-19(15)25-13/h5-6,11-12,21H,4,7-10H2,1-3H3
InChIKey
FLIKOGPDUXCQHK-UHFFFAOYSA-N
Compound name
2-ethyl-4-(4-methylpiperazin-1-yl)-7-methylsulfanyl-10H-thieno[2,3-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.14423 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15151 188.4
[M+Na]+ 395.13345 196.2
[M-H]- 371.13695 191.0
[M+NH4]+ 390.17805 199.3
[M+K]+ 411.10739 192.2
[M+H-H2O]+ 355.14149 180.0
[M+HCOO]- 417.14243 190.9
[M+CH3COO]- 431.15808 195.6
[M+Na-2H]- 393.11890 185.0
[M]+ 372.14368 186.0
[M]- 372.14478 186.0
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

No patent data available for this compound.