CID 135409490

2-ethyl-4-(4-methyl-1-piperazinyl)-10h-thieno(2,3-b)(1,5)benzodiazepine maleate

Structural Information

Molecular Formula
C18H22N4S
SMILES
CCC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C
InChI
InChI=1S/C18H22N4S/c1-3-13-12-14-17(22-10-8-21(2)9-11-22)19-15-6-4-5-7-16(15)20-18(14)23-13/h4-7,12,20H,3,8-11H2,1-2H3
InChIKey
MDESDPDMUPPFJQ-UHFFFAOYSA-N
Compound name
2-ethyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

326.15652 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.16380 179.0
[M+Na]+ 349.14574 190.6
[M+NH4]+ 344.19034 186.7
[M+K]+ 365.11968 183.7
[M-H]- 325.14924 181.8
[M+Na-2H]- 347.13119 183.2
[M]+ 326.15597 181.9
[M]- 326.15707 181.9
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