CID 3075123

172371-92-5

Structural Information

Molecular Formula
C22H16Cl2N2O
SMILES
C1=CC=C(C=C1)CN=CC2=C(N(C3=CC=CC=C32)C4=C(C=CC=C4Cl)Cl)O
InChI
InChI=1S/C22H16Cl2N2O/c23-18-10-6-11-19(24)21(18)26-20-12-5-4-9-16(20)17(22(26)27)14-25-13-15-7-2-1-3-8-15/h1-12,14,27H,13H2
InChIKey
UXMNPUURJZSCMP-UHFFFAOYSA-N
Compound name
3-(benzyliminomethyl)-1-(2,6-dichlorophenyl)indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.06396 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.07124 194.0
[M+Na]+ 417.05318 205.8
[M-H]- 393.05668 203.1
[M+NH4]+ 412.09778 208.0
[M+K]+ 433.02712 196.1
[M+H-H2O]+ 377.06122 184.9
[M+HCOO]- 439.06216 208.8
[M+CH3COO]- 453.07781 204.8
[M+Na-2H]- 415.03863 196.3
[M]+ 394.06341 200.3
[M]- 394.06451 200.3
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

No patent data available for this compound.