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]+ 341.165976 172.3
[M+Na]+ 363.147918 178.3
[M-H]- 339.151424 180.7
[M+NH4]+ 358.192523 180.2
[M+K]+ 379.121858 172.8
[M+H-H2O]+ 323.155960 162.9
[M+HCOO]- 385.156901 195.3
[M+CH3COO]- 399.172551 218.0
[M+Na-2H]- 361.133366 174.8
[M]+ 340.15815142 173.2
[M]- 340.15924858 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.