CID 15959145

3h-imidazo[2,1-a]isoindol-5-ol, 2,5-dihydro-5-[(3,4-dichlorophenyl)methyl]-7/8-methyl-

Structural Information

Molecular Formula
C18H16Cl2N2O
SMILES
CC1=CC2=C(C=C1)C3=NCCN3C2(CC4=CC(=C(C=C4)Cl)Cl)O
InChI
InChI=1S/C18H16Cl2N2O/c1-11-2-4-13-14(8-11)18(23,22-7-6-21-17(13)22)10-12-3-5-15(19)16(20)9-12/h2-5,8-9,23H,6-7,10H2,1H3
InChIKey
VBNLVSPCKVNUKE-UHFFFAOYSA-N
Compound name
5-[(3,4-dichlorophenyl)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

346.06396 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.07124 181.0
[M+Na]+ 369.05318 193.5
[M-H]- 345.05668 185.8
[M+NH4]+ 364.09778 200.3
[M+K]+ 385.02712 184.8
[M+H-H2O]+ 329.06122 173.8
[M+HCOO]- 391.06216 189.9
[M+CH3COO]- 405.07781 192.0
[M+Na-2H]- 367.03863 181.2
[M]+ 346.06341 185.1
[M]- 346.06451 185.1
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.