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

3
Patents

246.11906 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12634 152.7
[M+Na]+ 269.10828 162.3
[M-H]- 245.11178 157.1
[M+NH4]+ 264.15288 173.8
[M+K]+ 285.08222 157.2
[M+H-H2O]+ 229.11632 146.6
[M+HCOO]- 291.11726 169.4
[M+CH3COO]- 305.13291 165.3
[M+Na-2H]- 267.09373 156.6
[M]+ 246.11851 155.0
[M]- 246.11961 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