CID 3056105

N-allyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine methanesulfonate

Structural Information

Molecular Formula
C15H18N2S
SMILES
C=CCN1C2=CC=CC=C2C3=C1SCCC3CN
InChI
InChI=1S/C15H18N2S/c1-2-8-17-13-6-4-3-5-12(13)14-11(10-16)7-9-18-15(14)17/h2-6,11H,1,7-10,16H2
InChIKey
AAOYTICYQFZEAC-UHFFFAOYSA-N
Compound name
(9-prop-2-enyl-3,4-dihydro-2H-thiopyrano[2,3-b]indol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

258.11908 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12636 157.4
[M+Na]+ 281.10830 170.1
[M+NH4]+ 276.15290 167.5
[M+K]+ 297.08224 161.3
[M-H]- 257.11180 161.2
[M+Na-2H]- 279.09375 162.2
[M]+ 258.11853 160.8
[M]- 258.11963 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.