CID 3056094

Brn 0615082

Structural Information

Molecular Formula
C14H18N2S
SMILES
CN(C)CC1CCSC2=C1C3=CC=CC=C3N2
InChI
InChI=1S/C14H18N2S/c1-16(2)9-10-7-8-17-14-13(10)11-5-3-4-6-12(11)15-14/h3-6,10,15H,7-9H2,1-2H3
InChIKey
UWJHHSFHADDLQF-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(2,3,4,9-tetrahydrothiopyrano[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

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12634 153.0
[M+Na]+ 269.10828 161.3
[M-H]- 245.11178 157.1
[M+NH4]+ 264.15288 173.7
[M+K]+ 285.08222 156.8
[M+H-H2O]+ 229.11632 146.8
[M+HCOO]- 291.11726 168.7
[M+CH3COO]- 305.13291 165.2
[M+Na-2H]- 267.09373 156.5
[M]+ 246.11851 154.3
[M]- 246.11961 154.3
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