CID 213819

Brn 0758556

Structural Information

Molecular Formula
C16H13ClN2O
SMILES
C1CN2C(=N1)C3=C(C2(C4=CC=CC=C4)O)C(=CC=C3)Cl
InChI
InChI=1S/C16H13ClN2O/c17-13-8-4-7-12-14(13)16(20,11-5-2-1-3-6-11)19-10-9-18-15(12)19/h1-8,20H,9-10H2
InChIKey
KGXSWLWIHQIERE-UHFFFAOYSA-N
Compound name
6-chloro-5-phenyl-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

284.07166 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07894 164.7
[M+Na]+ 307.06088 176.2
[M-H]- 283.06438 170.1
[M+NH4]+ 302.10548 185.7
[M+K]+ 323.03482 168.9
[M+H-H2O]+ 267.06892 157.2
[M+HCOO]- 329.06986 179.6
[M+CH3COO]- 343.08551 176.9
[M+Na-2H]- 305.04633 168.3
[M]+ 284.07111 166.4
[M]- 284.07221 166.4
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