CID 135612693

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

Structural Information

Molecular Formula
C25H19FN2O
SMILES
CC1=C(C2=CC=CC=C2N1)C=NC3=CC=CC=C3C(=O)/C=C/C4=CC=CC=C4F
InChI
InChI=1S/C25H19FN2O/c1-17-21(19-9-3-7-13-24(19)28-17)16-27-23-12-6-4-10-20(23)25(29)15-14-18-8-2-5-11-22(18)26/h2-16,28H,1H3/b15-14+,27-16?
InChIKey
CGYPHYSHNPNMKG-JTVAZFBHSA-N
Compound name
(E)-3-(2-fluorophenyl)-1-[2-[(2-methyl-1H-indol-3-yl)methylideneamino]phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.14813 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15541 193.6
[M+Na]+ 405.13735 202.3
[M-H]- 381.14085 202.1
[M+NH4]+ 400.18195 206.2
[M+K]+ 421.11129 193.2
[M+H-H2O]+ 365.14539 182.5
[M+HCOO]- 427.14633 215.7
[M+CH3COO]- 441.16198 203.6
[M+Na-2H]- 403.12280 195.0
[M]+ 382.14758 193.6
[M]- 382.14868 193.6
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.