CID 201343

Phthalimide, n-(5-(4-amino-alpha-(methylsulfonyl)-o-tolyloxy)pentyl)-

Structural Information

Molecular Formula
C21H24N2O5S
SMILES
CS(=O)(=O)CC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C21H24N2O5S/c1-29(26,27)14-15-13-16(22)9-10-19(15)28-12-6-2-5-11-23-20(24)17-7-3-4-8-18(17)21(23)25/h3-4,7-10,13H,2,5-6,11-12,14,22H2,1H3
InChIKey
VVAYVRCQSQUGDH-UHFFFAOYSA-N
Compound name
2-[5-[4-amino-2-(methylsulfonylmethyl)phenoxy]pentyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.14788 199.1
[M+Na]+ 439.12982 209.2
[M+NH4]+ 434.17442 204.0
[M+K]+ 455.10376 203.3
[M-H]- 415.13332 200.5
[M+Na-2H]- 437.11527 202.2
[M]+ 416.14005 201.1
[M]- 416.14115 201.1
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.