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

4
Patents

246.11906 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.126336 153.0
[M+Na]+ 269.108278 161.3
[M-H]- 245.111784 157.1
[M+NH4]+ 264.152883 173.7
[M+K]+ 285.082218 156.8
[M+H-H2O]+ 229.116320 146.8
[M+HCOO]- 291.117261 168.7
[M+CH3COO]- 305.132911 165.2
[M+Na-2H]- 267.093726 156.5
[M]+ 246.11851142 154.3
[M]- 246.11960858 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