CID 3067777

81994-68-5

Structural Information

Molecular Formula
C18H27N3O2
SMILES
CCCCNC1=CC2=C(C=C1)C(=O)N(C2=O)CCN(CC)CC
InChI
InChI=1S/C18H27N3O2/c1-4-7-10-19-14-8-9-15-16(13-14)18(23)21(17(15)22)12-11-20(5-2)6-3/h8-9,13,19H,4-7,10-12H2,1-3H3
InChIKey
SSESQBSCMXUBEG-UHFFFAOYSA-N
Compound name
5-(butylamino)-2-[2-(diethylamino)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.21033 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.21761 178.3
[M+Na]+ 340.19955 184.5
[M-H]- 316.20305 182.4
[M+NH4]+ 335.24415 194.9
[M+K]+ 356.17349 181.1
[M+H-H2O]+ 300.20759 170.3
[M+HCOO]- 362.20853 201.0
[M+CH3COO]- 376.22418 219.2
[M+Na-2H]- 338.18500 178.9
[M]+ 317.20978 182.8
[M]- 317.21088 182.8
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.