CID 202980

Brn 0657502

Structural Information

Molecular Formula
C14H18N2S
SMILES
CC1(CNCC2=C1C3=C(N2)C=CC(=C3)SC)C
InChI
InChI=1S/C14H18N2S/c1-14(2)8-15-7-12-13(14)10-6-9(17-3)4-5-11(10)16-12/h4-6,15-16H,7-8H2,1-3H3
InChIKey
FVZIIOPEMFNNML-UHFFFAOYSA-N
Compound name
4,4-dimethyl-6-methylsulfanyl-1,2,3,9-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11906 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.126336 154.2
[M+Na]+ 269.108278 164.9
[M-H]- 245.111784 154.8
[M+NH4]+ 264.152883 175.0
[M+K]+ 285.082218 158.2
[M+H-H2O]+ 229.116320 148.6
[M+HCOO]- 291.117261 165.7
[M+CH3COO]- 305.132911 165.8
[M+Na-2H]- 267.093726 157.8
[M]+ 246.11851142 154.5
[M]- 246.11960858 154.5
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.