CID 135554552

61326-25-8

Structural Information

Molecular Formula
C15H16FN3OS
SMILES
CCC1=CC2=C(S1)NC3=C(C=C(C=C3)F)NC2=NCCO
InChI
InChI=1S/C15H16FN3OS/c1-2-10-8-11-14(17-5-6-20)18-13-7-9(16)3-4-12(13)19-15(11)21-10/h3-4,7-8,19-20H,2,5-6H2,1H3,(H,17,18)
InChIKey
NNJVJKASGSCSSZ-UHFFFAOYSA-N
Compound name
2-[(2-ethyl-7-fluoro-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-ylidene)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.09982 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10710 167.0
[M+Na]+ 328.08904 174.6
[M-H]- 304.09254 167.7
[M+NH4]+ 323.13364 181.9
[M+K]+ 344.06298 171.8
[M+H-H2O]+ 288.09708 159.8
[M+HCOO]- 350.09802 178.2
[M+CH3COO]- 364.11367 176.2
[M+Na-2H]- 326.07449 168.0
[M]+ 305.09927 163.4
[M]- 305.10037 163.4
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.