CID 135570632

N-(2-ethyl-7-fluoro-10h-thieno(2,3-b)(1,5)benzodiazepin-4-yl)-2-morpholinoethylamine maleate

Structural Information

Molecular Formula
C19H23FN4OS
SMILES
CCC1=CC2=C(S1)NC3=C(C=C(C=C3)F)NC2=NCCN4CCOCC4
InChI
InChI=1S/C19H23FN4OS/c1-2-14-12-15-18(21-5-6-24-7-9-25-10-8-24)22-17-11-13(20)3-4-16(17)23-19(15)26-14/h3-4,11-12,23H,2,5-10H2,1H3,(H,21,22)
InChIKey
TWUYEFRWSZOJSU-UHFFFAOYSA-N
Compound name
2-ethyl-7-fluoro-N-(2-morpholin-4-ylethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.15765 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.16493 188.7
[M+Na]+ 397.14687 197.1
[M+NH4]+ 392.19147 194.7
[M+K]+ 413.12081 191.2
[M-H]- 373.15037 191.1
[M+Na-2H]- 395.13232 190.4
[M]+ 374.15710 190.7
[M]- 374.15820 190.7
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.