CID 135570630

4-(2-ethyl-7-fluoro-10h-thieno(2,3-b)(1,5)benzodiazepin-4-yl)-1-piperazineethanol dimaleate

Structural Information

Molecular Formula
C19H23FN4OS
SMILES
CCC1=CC2=C(S1)NC3=C(C=C(C=C3)F)N=C2N4CCN(CC4)CCO
InChI
InChI=1S/C19H23FN4OS/c1-2-14-12-15-18(24-7-5-23(6-8-24)9-10-25)21-17-11-13(20)3-4-16(17)22-19(15)26-14/h3-4,11-12,22,25H,2,5-10H2,1H3
InChIKey
LHNSMNJYYGYDON-UHFFFAOYSA-N
Compound name
2-[4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.15765 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.16493 188.1
[M+Na]+ 397.14687 195.4
[M-H]- 373.15037 188.8
[M+NH4]+ 392.19147 197.9
[M+K]+ 413.12081 191.4
[M+H-H2O]+ 357.15491 177.9
[M+HCOO]- 419.15585 193.3
[M+CH3COO]- 433.17150 194.9
[M+Na-2H]- 395.13232 185.8
[M]+ 374.15710 183.5
[M]- 374.15820 183.5
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.