CID 3058071

Brn 5591474

Structural Information

Molecular Formula
C19H22N2O3
SMILES
C1CCCN(CCC1)CC#CCON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H22N2O3/c22-18-16-10-4-5-11-17(16)19(23)21(18)24-15-9-8-14-20-12-6-2-1-3-7-13-20/h4-5,10-11H,1-3,6-7,12-15H2
InChIKey
YUWAPUDCCDLAIU-UHFFFAOYSA-N
Compound name
2-[4-(azocan-1-yl)but-2-ynoxy]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.16306 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 169.0
[M+Na]+ 349.15228 174.0
[M-H]- 325.15578 169.6
[M+NH4]+ 344.19688 174.4
[M+K]+ 365.12622 171.2
[M+H-H2O]+ 309.16032 161.2
[M+HCOO]- 371.16126 173.4
[M+CH3COO]- 385.17691 171.4
[M+Na-2H]- 347.13773 166.0
[M]+ 326.16251 165.3
[M]- 326.16361 165.3
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

No patent data available for this compound.