CID 3067217

10h-thieno(3,4-b)(1,5)benzodiazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-

Structural Information

Molecular Formula
C18H20N4O2S
SMILES
CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3NC(=O)C4=CSC=C42
InChI
InChI=1S/C18H20N4O2S/c1-20-6-8-21(9-7-20)10-17(23)22-15-5-3-2-4-14(15)19-18(24)13-11-25-12-16(13)22/h2-5,11-12H,6-10H2,1H3,(H,19,24)
InChIKey
SZSCWPDMHVMTEX-UHFFFAOYSA-N
Compound name
10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

356.1307 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13798 185.1
[M+Na]+ 379.11992 191.4
[M-H]- 355.12342 187.9
[M+NH4]+ 374.16452 195.5
[M+K]+ 395.09386 188.9
[M+H-H2O]+ 339.12796 175.6
[M+HCOO]- 401.12890 191.2
[M+CH3COO]- 415.14455 192.4
[M+Na-2H]- 377.10537 183.0
[M]+ 356.13015 180.5
[M]- 356.13125 180.5
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