CID 3047909

Usaf a-2369

Structural Information

Molecular Formula
C17H24N2O2S
SMILES
CCN(CC)CCSCCCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C17H24N2O2S/c1-3-18(4-2)11-13-22-12-7-10-19-16(20)14-8-5-6-9-15(14)17(19)21/h5-6,8-9H,3-4,7,10-13H2,1-2H3
InChIKey
HAQORVRGNNQGKJ-UHFFFAOYSA-N
Compound name
2-[3-[2-(diethylamino)ethylsulfanyl]propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.15585 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.16313 177.0
[M+Na]+ 343.14507 183.9
[M-H]- 319.14857 181.0
[M+NH4]+ 338.18967 194.3
[M+K]+ 359.11901 180.0
[M+H-H2O]+ 303.15311 169.7
[M+HCOO]- 365.15405 193.9
[M+CH3COO]- 379.16970 213.4
[M+Na-2H]- 341.13052 175.8
[M]+ 320.15530 184.0
[M]- 320.15640 184.0
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

No patent data available for this compound.