CID 135570558

Brn 4537827

Structural Information

Molecular Formula
C24H17ClN2O
SMILES
C1=CC=C2C(=C1)C(=CN2)C=NC3=CC=CC=C3C(=O)/C=C/C4=CC(=CC=C4)Cl
InChI
InChI=1S/C24H17ClN2O/c25-19-7-5-6-17(14-19)12-13-24(28)21-9-2-4-11-23(21)27-16-18-15-26-22-10-3-1-8-20(18)22/h1-16,26H/b13-12+,27-16?
InChIKey
IOWLEMFPHRBVCR-HCGDDBIPSA-N
Compound name
(E)-3-(3-chlorophenyl)-1-[2-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.10294 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.11022 193.4
[M+Na]+ 407.09216 210.9
[M+NH4]+ 402.13676 202.0
[M+K]+ 423.06610 201.1
[M-H]- 383.09566 200.7
[M+Na-2H]- 405.07761 204.2
[M]+ 384.10239 198.5
[M]- 384.10349 198.5
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

No patent data available for this compound.