CID 71462653

Nexturastat a

Structural Information

Molecular Formula
C19H23N3O3
SMILES
CCCCN(CC1=CC=C(C=C1)C(=O)NO)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
InChIKey
JZWXMCPARMXZQV-UHFFFAOYSA-N
Compound name
4-[[butyl(phenylcarbamoyl)amino]methyl]-N-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

664
Patents

341.17395 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.18123 182.2
[M+Na]+ 364.16317 184.5
[M-H]- 340.16667 188.0
[M+NH4]+ 359.20777 193.9
[M+K]+ 380.13711 181.9
[M+H-H2O]+ 324.17121 172.7
[M+HCOO]- 386.17215 206.0
[M+CH3COO]- 400.18780 218.6
[M+Na-2H]- 362.14862 184.6
[M]+ 341.17340 182.0
[M]- 341.17450 182.0
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