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 186.7
[M+Na]+ 397.14687 192.1
[M-H]- 373.15037 189.6
[M+NH4]+ 392.19147 196.4
[M+K]+ 413.12081 189.4
[M+H-H2O]+ 357.15491 176.7
[M+HCOO]- 419.15585 193.5
[M+CH3COO]- 433.17150 193.7
[M+Na-2H]- 395.13232 185.7
[M]+ 374.15710 180.8
[M]- 374.15820 180.8
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.