CID 209205

19446-30-1

Structural Information

Molecular Formula
C19H22N2O2
SMILES
C1CCCN(CCC1)CC#CCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H22N2O2/c22-18-16-10-4-5-11-17(16)19(23)21(18)15-9-8-14-20-12-6-2-1-3-7-13-20/h4-5,10-11H,1-3,6-7,12-15H2
InChIKey
YLXJAIWUVMTROU-UHFFFAOYSA-N
Compound name
2-[4-(azocan-1-yl)but-2-ynyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.16812 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 167.9
[M+Na]+ 333.15734 173.0
[M-H]- 309.16084 168.6
[M+NH4]+ 328.20194 173.6
[M+K]+ 349.13128 170.0
[M+H-H2O]+ 293.16538 160.2
[M+HCOO]- 355.16632 172.3
[M+CH3COO]- 369.18197 170.5
[M+Na-2H]- 331.14279 164.9
[M]+ 310.16757 163.7
[M]- 310.16867 163.7
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

patents stripe