CID 135579754

3-(4-chlorophenyl)-1-(4-((1h-indol-3-ylmethylene)amino)phenyl)-2-propen-1-one

Structural Information

Molecular Formula
C24H17ClN2O
SMILES
C1=CC=C2C(=C1)C(=CN2)C=NC3=CC=C(C=C3)C(=O)/C=C/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H17ClN2O/c25-20-10-5-17(6-11-20)7-14-24(28)18-8-12-21(13-9-18)26-15-19-16-27-23-4-2-1-3-22(19)23/h1-16,27H/b14-7+,26-15?
InChIKey
AKTWMIDFXRVYLR-GGABDZSTSA-N
Compound name
(E)-3-(4-chlorophenyl)-1-[4-(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 194.1
[M+Na]+ 407.09216 203.1
[M-H]- 383.09566 203.3
[M+NH4]+ 402.13676 207.2
[M+K]+ 423.06610 193.1
[M+H-H2O]+ 367.10020 184.2
[M+HCOO]- 429.10114 212.9
[M+CH3COO]- 443.11679 204.2
[M+Na-2H]- 405.07761 196.6
[M]+ 384.10239 196.7
[M]- 384.10349 196.7
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.