CID 3057692

74137-73-8

Structural Information

Molecular Formula
C17H19FN4S
SMILES
CC1=CC2=C(S1)C(=NC3=C(N2)C=CC(=C3)F)N4CCN(CC4)C
InChI
InChI=1S/C17H19FN4S/c1-11-9-15-16(23-11)17(22-7-5-21(2)6-8-22)20-14-10-12(18)3-4-13(14)19-15/h3-4,9-10,19H,5-8H2,1-2H3
InChIKey
CVXLPHKTOLDTBE-UHFFFAOYSA-N
Compound name
7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.13144 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13872 177.0
[M+Na]+ 353.12066 186.0
[M-H]- 329.12416 179.4
[M+NH4]+ 348.16526 189.3
[M+K]+ 369.09460 182.3
[M+H-H2O]+ 313.12870 167.0
[M+HCOO]- 375.12964 184.1
[M+CH3COO]- 389.14529 185.6
[M+Na-2H]- 351.10611 175.7
[M]+ 330.13089 172.3
[M]- 330.13199 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.