CID 3056117

N-ethyl-6-fluoro-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate

Structural Information

Molecular Formula
C14H17FN2S
SMILES
CNCC1CCSC2=C1C3=C(N2C)C=CC(=C3)F
InChI
InChI=1S/C14H17FN2S/c1-16-8-9-5-6-18-14-13(9)11-7-10(15)3-4-12(11)17(14)2/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKey
KTQDEBONPUQDPJ-UHFFFAOYSA-N
Compound name
1-(6-fluoro-9-methyl-3,4-dihydro-2H-thiopyrano[2,3-b]indol-4-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.10965 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11693 155.5
[M+Na]+ 287.09887 165.9
[M-H]- 263.10237 158.8
[M+NH4]+ 282.14347 176.0
[M+K]+ 303.07281 160.3
[M+H-H2O]+ 247.10691 148.6
[M+HCOO]- 309.10785 171.1
[M+CH3COO]- 323.12350 167.8
[M+Na-2H]- 285.08432 158.1
[M]+ 264.10910 157.2
[M]- 264.11020 157.2
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.