CID 43613

61356-06-7

Structural Information

Molecular Formula
C20H30N2O3
SMILES
C1CCN(C1)CCOC2CCC(CC2)N3C(=O)C4CC=CCC4C3=O
InChI
InChI=1S/C20H30N2O3/c23-19-17-5-1-2-6-18(17)20(24)22(19)15-7-9-16(10-8-15)25-14-13-21-11-3-4-12-21/h1-2,15-18H,3-14H2
InChIKey
WLCZANLEZKJABS-UHFFFAOYSA-N
Compound name
2-[4-(2-pyrrolidin-1-ylethoxy)cyclohexyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.22565 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.23293 186.8
[M+Na]+ 369.21487 188.7
[M-H]- 345.21837 192.6
[M+NH4]+ 364.25947 200.9
[M+K]+ 385.18881 184.4
[M+H-H2O]+ 329.22291 177.4
[M+HCOO]- 391.22385 198.4
[M+CH3COO]- 405.23950 194.3
[M+Na-2H]- 367.20032 180.3
[M]+ 346.22510 179.6
[M]- 346.22620 179.6
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.