CID 209205

Phthalimide, n-(4-(octahydroazocin-1-yl)but-2-ynyl)-

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

9
Patents

310.16812 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.175396 167.9
[M+Na]+ 333.157338 173.0
[M-H]- 309.160844 168.6
[M+NH4]+ 328.201943 173.6
[M+K]+ 349.131278 170.0
[M+H-H2O]+ 293.165380 160.2
[M+HCOO]- 355.166321 172.3
[M+CH3COO]- 369.181971 170.5
[M+Na-2H]- 331.142786 164.9
[M]+ 310.16757142 163.7
[M]- 310.16866858 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