CID 135704097

Brn 5649429

Structural Information

Molecular Formula
C19H21FN4O2S
SMILES
CCOC(=O)N1CCN(CC1)C2=NC3=C(C=CC(=C3)F)NC4=C2C=C(S4)C
InChI
InChI=1S/C19H21FN4O2S/c1-3-26-19(25)24-8-6-23(7-9-24)17-14-10-12(2)27-18(14)22-15-5-4-13(20)11-16(15)21-17/h4-5,10-11,22H,3,6-9H2,1-2H3
InChIKey
SFRIJYMRFPEPMU-UHFFFAOYSA-N
Compound name
ethyl 4-(7-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.13693 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14421 189.4
[M+Na]+ 411.12615 198.9
[M+NH4]+ 406.17075 194.8
[M+K]+ 427.10009 193.9
[M-H]- 387.12965 189.6
[M+Na-2H]- 409.11160 191.5
[M]+ 388.13638 191.0
[M]- 388.13748 191.0
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.