CID 199790

Phthalimide, n-(5-(4-amino-2-propoxyphenoxy)pentyl)-

Structural Information

Molecular Formula
C22H26N2O4
SMILES
CCCOC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C22H26N2O4/c1-2-13-27-20-15-16(23)10-11-19(20)28-14-7-3-6-12-24-21(25)17-8-4-5-9-18(17)22(24)26/h4-5,8-11,15H,2-3,6-7,12-14,23H2,1H3
InChIKey
IIIAEJGKACTKEJ-UHFFFAOYSA-N
Compound name
2-[5-(4-amino-2-propoxyphenoxy)pentyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.18927 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19655 192.9
[M+Na]+ 405.17849 199.7
[M-H]- 381.18199 198.4
[M+NH4]+ 400.22309 205.7
[M+K]+ 421.15243 194.6
[M+H-H2O]+ 365.18653 183.7
[M+HCOO]- 427.18747 213.7
[M+CH3COO]- 441.20312 223.4
[M+Na-2H]- 403.16394 192.3
[M]+ 382.18872 197.8
[M]- 382.18982 197.8
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