CID 203246

2-(4-(1-pyrrolidinyl)-2-butynyl)phthalimidine fumarate

Structural Information

Molecular Formula
C16H18N2O
SMILES
C1CCN(C1)CC#CCN2CC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H18N2O/c19-16-15-8-2-1-7-14(15)13-18(16)12-6-5-11-17-9-3-4-10-17/h1-2,7-8H,3-4,9-13H2
InChIKey
KEGXPMGNGCJKSQ-UHFFFAOYSA-N
Compound name
2-(4-pyrrolidin-1-ylbut-2-ynyl)-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 160.8
[M+Na]+ 277.13112 170.2
[M-H]- 253.13462 162.4
[M+NH4]+ 272.17572 177.1
[M+K]+ 293.10506 161.9
[M+H-H2O]+ 237.13916 146.1
[M+HCOO]- 299.14010 173.8
[M+CH3COO]- 313.15575 170.1
[M+Na-2H]- 275.11657 159.9
[M]+ 254.14135 153.0
[M]- 254.14245 153.0
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.