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 185.6
[M+Na]+ 392.12170 191.5
[M-H]- 368.12520 191.5
[M+NH4]+ 387.16630 197.6
[M+K]+ 408.09564 182.8
[M+H-H2O]+ 352.12974 181.1
[M+HCOO]- 414.13068 208.0
[M+CH3COO]- 428.14633 213.6
[M+Na-2H]- 390.10715 188.8
[M]+ 369.13193 186.4
[M]- 369.13303 186.4
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.