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 199.3
[M+Na]+ 439.12982 207.1
[M-H]- 415.13332 205.1
[M+NH4]+ 434.17442 211.2
[M+K]+ 455.10376 201.6
[M+H-H2O]+ 399.13786 191.6
[M+HCOO]- 461.13880 214.4
[M+CH3COO]- 475.15445 225.4
[M+Na-2H]- 437.11527 198.8
[M]+ 416.14005 205.8
[M]- 416.14115 205.8
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