CID 22071

Formamide, n-(5-amino-2-((5-(1,3-dioxoisoindolin-2-yl)pentyl)oxy)benzyl)-

Structural Information

Molecular Formula
C21H23N3O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCOC3=C(C=C(C=C3)N)CNC=O
InChI
InChI=1S/C21H23N3O4/c22-16-8-9-19(15(12-16)13-23-14-25)28-11-5-1-4-10-24-20(26)17-6-2-3-7-18(17)21(24)27/h2-3,6-9,12,14H,1,4-5,10-11,13,22H2,(H,23,25)
InChIKey
LFTIOWWBWOZVLO-UHFFFAOYSA-N
Compound name
N-[[5-amino-2-[5-(1,3-dioxoisoindol-2-yl)pentoxy]phenyl]methyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.16885 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17613 189.6
[M+Na]+ 404.15807 196.2
[M-H]- 380.16157 195.3
[M+NH4]+ 399.20267 202.0
[M+K]+ 420.13201 190.8
[M+H-H2O]+ 364.16611 180.3
[M+HCOO]- 426.16705 212.0
[M+CH3COO]- 440.18270 225.2
[M+Na-2H]- 402.14352 190.4
[M]+ 381.16830 192.8
[M]- 381.16940 192.8
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

No patent data available for this compound.