CID 135704084

74162-37-1

Structural Information

Molecular Formula
C17H19FN4S
SMILES
CC1=CSC2=C1C(=NC3=C(N2)C=CC(=C3)F)N4CCN(CC4)C
InChI
InChI=1S/C17H19FN4S/c1-11-10-23-17-15(11)16(22-7-5-21(2)6-8-22)19-14-9-12(18)3-4-13(14)20-17/h3-4,9-10,20H,5-8H2,1-2H3
InChIKey
UMXKUTLAIBQGCS-UHFFFAOYSA-N
Compound name
7-fluoro-3-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

330.13144 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.138716 177.0
[M+Na]+ 353.120658 186.0
[M-H]- 329.124164 179.4
[M+NH4]+ 348.165263 189.3
[M+K]+ 369.094598 182.3
[M+H-H2O]+ 313.128700 167.0
[M+HCOO]- 375.129641 184.1
[M+CH3COO]- 389.145291 185.6
[M+Na-2H]- 351.106106 175.7
[M]+ 330.13089142 172.3
[M]- 330.13198858 172.3
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.