CID 135746675

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

Structural Information

Molecular Formula
C20H25FN4OS
SMILES
CCC1=CC2=C(S1)NC3=C(C=C(C=C3)F)NC2=NCCCN4CCOCC4
InChI
InChI=1S/C20H25FN4OS/c1-2-15-13-16-19(22-6-3-7-25-8-10-26-11-9-25)23-18-12-14(21)4-5-17(18)24-20(16)27-15/h4-5,12-13,24H,2-3,6-11H2,1H3,(H,22,23)
InChIKey
KXJBLJPXOPSSER-UHFFFAOYSA-N
Compound name
2-ethyl-7-fluoro-N-(3-morpholin-4-ylpropyl)-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

388.1733 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18058 190.7
[M+Na]+ 411.16252 195.7
[M-H]- 387.16602 193.4
[M+NH4]+ 406.20712 199.8
[M+K]+ 427.13646 192.8
[M+H-H2O]+ 371.17056 180.5
[M+HCOO]- 433.17150 197.2
[M+CH3COO]- 447.18715 197.2
[M+Na-2H]- 409.14797 189.2
[M]+ 388.17275 185.0
[M]- 388.17385 185.0
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.