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

0
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 156.9
[M+Na]+ 281.10830 166.4
[M-H]- 257.11180 160.7
[M+NH4]+ 276.15290 177.2
[M+K]+ 297.08224 160.1
[M+H-H2O]+ 241.11634 150.8
[M+HCOO]- 303.11728 172.9
[M+CH3COO]- 317.13293 168.9
[M+Na-2H]- 279.09375 159.4
[M]+ 258.11853 157.9
[M]- 258.11963 157.9
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.