CID 5755126

302822-79-3

Structural Information

Molecular Formula
C22H19FN2O3
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2F)/C(=O)NCC3=CC=CO3
InChI
InChI=1S/C22H19FN2O3/c1-15-8-10-16(11-9-15)21(26)25-20(13-17-5-2-3-7-19(17)23)22(27)24-14-18-6-4-12-28-18/h2-13H,14H2,1H3,(H,24,27)(H,25,26)/b20-13+
InChIKey
FKPDZFSYRMMSOK-DEDYPNTBSA-N
Compound name
N-[(E)-1-(2-fluorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.13797 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14525 192.0
[M+Na]+ 401.12719 196.3
[M-H]- 377.13069 200.9
[M+NH4]+ 396.17179 202.8
[M+K]+ 417.10113 192.3
[M+H-H2O]+ 361.13523 181.9
[M+HCOO]- 423.13617 214.0
[M+CH3COO]- 437.15182 221.4
[M+Na-2H]- 399.11264 191.6
[M]+ 378.13742 191.0
[M]- 378.13852 191.0
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.