CID 85040590

Jkvnvkovlbvyhq-uhfffaoysa-n

Structural Information

Molecular Formula
C21H23N3O3
SMILES
C1CCN(C1)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C=CC(=O)NO
InChI
InChI=1S/C21H23N3O3/c25-20(23-27)12-7-16-3-5-17(6-4-16)15-22-21(26)18-8-10-19(11-9-18)24-13-1-2-14-24/h3-12,27H,1-2,13-15H2,(H,22,26)(H,23,25)
InChIKey
JKVNVKOVLBVYHQ-UHFFFAOYSA-N
Compound name
N-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]-4-pyrrolidin-1-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

18
Patents

365.17395 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18123 189.9
[M+Na]+ 388.16317 198.7
[M+NH4]+ 383.20777 195.0
[M+K]+ 404.13711 194.4
[M-H]- 364.16667 193.7
[M+Na-2H]- 386.14862 195.7
[M]+ 365.17340 191.6
[M]- 365.17450 191.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe