CID 3056082

N,9-dimethyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate

Structural Information

Molecular Formula
C14H18N2S
SMILES
CNCC1CCSC2=C1C3=CC=CC=C3N2C
InChI
InChI=1S/C14H18N2S/c1-15-9-10-7-8-17-14-13(10)11-5-3-4-6-12(11)16(14)2/h3-6,10,15H,7-9H2,1-2H3
InChIKey
YGXXPXSOHIQSJH-UHFFFAOYSA-N
Compound name
N-methyl-1-(9-methyl-3,4-dihydro-2H-thiopyrano[2,3-b]indol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

246.11906 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.126336 152.7
[M+Na]+ 269.108278 162.3
[M-H]- 245.111784 157.1
[M+NH4]+ 264.152883 173.8
[M+K]+ 285.082218 157.2
[M+H-H2O]+ 229.116320 146.6
[M+HCOO]- 291.117261 169.4
[M+CH3COO]- 305.132911 165.3
[M+Na-2H]- 267.093726 156.6
[M]+ 246.11851142 155.0
[M]- 246.11960858 155.0
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

patents stripe