CID 3461945

13450-05-0

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1CN2C(=O)C3=CC=CC=C3C2(N1)C4=CC=C(C=C4)O
InChI
InChI=1S/C16H14N2O2/c19-12-7-5-11(6-8-12)16-14-4-2-1-3-13(14)15(20)18(16)10-9-17-16/h1-8,17,19H,9-10H2
InChIKey
ZSGOJSHPDXCFJZ-UHFFFAOYSA-N
Compound name
9b-(4-hydroxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

266.10553 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 160.6
[M+Na]+ 289.09475 170.1
[M-H]- 265.09825 164.7
[M+NH4]+ 284.13935 180.7
[M+K]+ 305.06869 163.7
[M+H-H2O]+ 249.10279 153.4
[M+HCOO]- 311.10373 177.7
[M+CH3COO]- 325.11938 172.1
[M+Na-2H]- 287.08020 163.8
[M]+ 266.10498 157.9
[M]- 266.10608 157.9
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