CID 3046778

Brn 2399348

Structural Information

Molecular Formula
C20H21FN2O2
SMILES
C1CC1NC(=O)CCCN=C(C2=CC=CC=C2)C3=C(C=CC(=C3)F)O
InChI
InChI=1S/C20H21FN2O2/c21-15-8-11-18(24)17(13-15)20(14-5-2-1-3-6-14)22-12-4-7-19(25)23-16-9-10-16/h1-3,5-6,8,11,13,16,24H,4,7,9-10,12H2,(H,23,25)
InChIKey
HDTUTVKFXPLPNC-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1587 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16598 172.3
[M+Na]+ 363.14792 178.3
[M-H]- 339.15142 180.7
[M+NH4]+ 358.19252 180.2
[M+K]+ 379.12186 172.8
[M+H-H2O]+ 323.15596 162.9
[M+HCOO]- 385.15690 195.3
[M+CH3COO]- 399.17255 218.0
[M+Na-2H]- 361.13337 174.8
[M]+ 340.15815 173.2
[M]- 340.15925 173.2
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.