CID 3065541

Phthalimide, n-(5-(p-aminophenoxy)pentyl)-3-nitro-

Structural Information

Molecular Formula
C19H19N3O5
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCCCOC3=CC=C(C=C3)N
InChI
InChI=1S/C19H19N3O5/c20-13-7-9-14(10-8-13)27-12-3-1-2-11-21-18(23)15-5-4-6-16(22(25)26)17(15)19(21)24/h4-10H,1-3,11-12,20H2
InChIKey
WBZJKYNNAPSHBQ-UHFFFAOYSA-N
Compound name
2-[5-(4-aminophenoxy)pentyl]-4-nitroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.13248 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13976 185.1
[M+Na]+ 392.12170 196.9
[M+NH4]+ 387.16630 190.7
[M+K]+ 408.09564 195.0
[M-H]- 368.12520 189.0
[M+Na-2H]- 390.10715 189.0
[M]+ 369.13193 187.4
[M]- 369.13303 187.4
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.