CID 3056107

2,3,4,9-tetrahydro-n-(2-(dimethylamino)ethyl)thiopyrano(2,3-b)indole-4-methylamine 2hbr

Structural Information

Molecular Formula
C16H23N3S
SMILES
CN1C2=CC=CC=C2C3=C1SCCC3CNCN(C)C
InChI
InChI=1S/C16H23N3S/c1-18(2)11-17-10-12-8-9-20-16-15(12)13-6-4-5-7-14(13)19(16)3/h4-7,12,17H,8-11H2,1-3H3
InChIKey
CEYWBXMQBNQUHA-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[(9-methyl-3,4-dihydro-2H-thiopyrano[2,3-b]indol-4-yl)methyl]methanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.16125 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16853 165.2
[M+Na]+ 312.15047 172.9
[M-H]- 288.15397 170.5
[M+NH4]+ 307.19507 184.7
[M+K]+ 328.12441 168.7
[M+H-H2O]+ 272.15851 158.0
[M+HCOO]- 334.15945 182.6
[M+CH3COO]- 348.17510 176.8
[M+Na-2H]- 310.13592 168.2
[M]+ 289.16070 168.6
[M]- 289.16180 168.6
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.