CID 15959143

3h-imidazo[2,1-a]isoindol-5-ol, 2,5-dihydro-5-[(2-chlorophenyl)methyl]-7/8-methyl-

Structural Information

Molecular Formula
C18H17ClN2O
SMILES
CC1=CC2=C(C=C1)C3=NCCN3C2(CC4=CC=CC=C4Cl)O
InChI
InChI=1S/C18H17ClN2O/c1-12-6-7-14-15(10-12)18(22,21-9-8-20-17(14)21)11-13-4-2-3-5-16(13)19/h2-7,10,22H,8-9,11H2,1H3
InChIKey
FAZVNEYUGGXODL-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)methyl]-7-methyl-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.10294 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11022 174.0
[M+Na]+ 335.09216 185.5
[M-H]- 311.09566 179.4
[M+NH4]+ 330.13676 194.2
[M+K]+ 351.06610 177.7
[M+H-H2O]+ 295.10020 166.4
[M+HCOO]- 357.10114 188.2
[M+CH3COO]- 371.11679 185.6
[M+Na-2H]- 333.07761 175.8
[M]+ 312.10239 176.7
[M]- 312.10349 176.7
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

No patent data available for this compound.