CID 135704087

Brn 5630092

Structural Information

Molecular Formula
C19H23FN4S
SMILES
CC(C)C1=CC2=C(S1)NC3=C(C=C(C=C3)F)N=C2N4CCN(CC4)C
InChI
InChI=1S/C19H23FN4S/c1-12(2)17-11-14-18(24-8-6-23(3)7-9-24)21-16-10-13(20)4-5-15(16)22-19(14)25-17/h4-5,10-12,22H,6-9H2,1-3H3
InChIKey
PPFGKVZLKAVSHF-UHFFFAOYSA-N
Compound name
7-fluoro-4-(4-methylpiperazin-1-yl)-2-propan-2-yl-10H-thieno[2,3-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.16275 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17003 184.3
[M+Na]+ 381.15197 192.1
[M-H]- 357.15547 186.4
[M+NH4]+ 376.19657 195.4
[M+K]+ 397.12591 188.6
[M+H-H2O]+ 341.16001 174.2
[M+HCOO]- 403.16095 189.8
[M+CH3COO]- 417.17660 192.0
[M+Na-2H]- 379.13742 181.3
[M]+ 358.16220 179.7
[M]- 358.16330 179.7
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.