CID 135612695

(e,?)-1-(2-(((2-methyl-1h-indol-3-yl)methylene)amino)phenyl)-3-phenyl-2-propen-1-one

Structural Information

Molecular Formula
C25H20N2O
SMILES
CC1=C(C2=CC=CC=C2N1)C=NC3=CC=CC=C3C(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C25H20N2O/c1-18-22(20-11-5-8-14-24(20)27-18)17-26-23-13-7-6-12-21(23)25(28)16-15-19-9-3-2-4-10-19/h2-17,27H,1H3/b16-15+,26-17?
InChIKey
XBXNUOCQOWCKAW-WNBFALQDSA-N
Compound name
(E)-1-[2-[(2-methyl-1H-indol-3-yl)methylideneamino]phenyl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.15756 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16484 190.1
[M+Na]+ 387.14678 197.9
[M-H]- 363.15028 199.6
[M+NH4]+ 382.19138 203.2
[M+K]+ 403.12072 189.2
[M+H-H2O]+ 347.15482 179.9
[M+HCOO]- 409.15576 213.3
[M+CH3COO]- 423.17141 200.4
[M+Na-2H]- 385.13223 192.9
[M]+ 364.15701 190.6
[M]- 364.15811 190.6
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.