CID 135570634

10h-thieno(2,3-b)(1,5)benzodiazepin-4-amine, 2-ethyl-7-fluoro-n-(2-(1-piperidinyl)ethyl)-, (z)-2-butenedioate (2:3)

Structural Information

Molecular Formula
C20H25FN4S
SMILES
CCC1=CC2=C(S1)NC3=C(C=C(C=C3)F)NC2=NCCN4CCCCC4
InChI
InChI=1S/C20H25FN4S/c1-2-15-13-16-19(22-8-11-25-9-4-3-5-10-25)23-18-12-14(21)6-7-17(18)24-20(16)26-15/h6-7,12-13,24H,2-5,8-11H2,1H3,(H,22,23)
InChIKey
CWNCASOMYRMFAR-UHFFFAOYSA-N
Compound name
2-ethyl-7-fluoro-N-(2-piperidin-1-ylethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1784 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.18568 186.2
[M+Na]+ 395.16762 194.5
[M+NH4]+ 390.21222 192.7
[M+K]+ 411.14156 187.8
[M-H]- 371.17112 187.9
[M+Na-2H]- 393.15307 188.9
[M]+ 372.17785 188.0
[M]- 372.17895 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.