CID 215986

36951-85-6

Structural Information

Molecular Formula
C17H14Cl2N2O
SMILES
C1CN=C2C3=CC=CC=C3C(N2C1)(C4=CC(=C(C=C4)Cl)Cl)O
InChI
InChI=1S/C17H14Cl2N2O/c18-14-7-6-11(10-15(14)19)17(22)13-5-2-1-4-12(13)16-20-8-3-9-21(16)17/h1-2,4-7,10,22H,3,8-9H2
InChIKey
GFNMCJGABJMVFQ-UHFFFAOYSA-N
Compound name
6-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

332.0483 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05558 174.2
[M+Na]+ 355.03752 185.5
[M-H]- 331.04102 178.1
[M+NH4]+ 350.08212 191.9
[M+K]+ 371.01146 177.0
[M+H-H2O]+ 315.04556 166.0
[M+HCOO]- 377.04650 181.3
[M+CH3COO]- 391.06215 184.7
[M+Na-2H]- 353.02297 177.7
[M]+ 332.04775 175.5
[M]- 332.04885 175.5
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