CID 214398

33156-84-2

Structural Information

Molecular Formula
C17H16N2O2
SMILES
COC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=NCCN42)O
InChI
InChI=1S/C17H16N2O2/c1-21-13-8-6-12(7-9-13)17(20)15-5-3-2-4-14(15)16-18-10-11-19(16)17/h2-9,20H,10-11H2,1H3
InChIKey
HQICEQOCYAITRP-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

280.1212 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12848 164.3
[M+Na]+ 303.11042 174.4
[M-H]- 279.11392 170.0
[M+NH4]+ 298.15502 184.6
[M+K]+ 319.08436 169.1
[M+H-H2O]+ 263.11846 156.5
[M+HCOO]- 325.11940 183.8
[M+CH3COO]- 339.13505 176.5
[M+Na-2H]- 301.09587 168.3
[M]+ 280.12065 165.8
[M]- 280.12175 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe