CID 58133

100958-17-6

Structural Information

Molecular Formula
C15H18N2O3
SMILES
C1=CC(=CC=C1N)OCCCCCN2C(=O)C=CC2=O
InChI
InChI=1S/C15H18N2O3/c16-12-4-6-13(7-5-12)20-11-3-1-2-10-17-14(18)8-9-15(17)19/h4-9H,1-3,10-11,16H2
InChIKey
KFLYYCYTAIOWNQ-UHFFFAOYSA-N
Compound name
1-[5-(4-aminophenoxy)pentyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

274.13174 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 162.5
[M+Na]+ 297.12096 169.7
[M-H]- 273.12446 167.5
[M+NH4]+ 292.16556 178.7
[M+K]+ 313.09490 165.9
[M+H-H2O]+ 257.12900 154.4
[M+HCOO]- 319.12994 186.0
[M+CH3COO]- 333.14559 200.2
[M+Na-2H]- 295.10641 164.0
[M]+ 274.13119 164.1
[M]- 274.13229 164.1
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

patents stripe