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 190.6
[M+Na]+ 411.12615 198.2
[M-H]- 387.12965 192.8
[M+NH4]+ 406.17075 200.4
[M+K]+ 427.10009 195.7
[M+H-H2O]+ 371.13419 180.4
[M+HCOO]- 433.13513 196.6
[M+CH3COO]- 447.15078 197.9
[M+Na-2H]- 409.11160 188.0
[M]+ 388.13638 187.7
[M]- 388.13748 187.7
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.