CID 169441362

2820170-74-7

Structural Information

Molecular Formula
C19H23N3O4
SMILES
CC(CCC1=CC=CC=C1)N(CC(C2=CC(=C(C=C2)O)C(=O)N)O)N=O
InChI
InChI=1S/C19H23N3O4/c1-13(7-8-14-5-3-2-4-6-14)22(21-26)12-18(24)15-9-10-17(23)16(11-15)19(20)25/h2-6,9-11,13,18,23-24H,7-8,12H2,1H3,(H2,20,25)
InChIKey
KQZMONDKWBDGEU-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[1-hydroxy-2-[nitroso(4-phenylbutan-2-yl)amino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.16885 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.17613 185.1
[M+Na]+ 380.15807 187.5
[M-H]- 356.16157 190.7
[M+NH4]+ 375.20267 195.7
[M+K]+ 396.13201 186.1
[M+H-H2O]+ 340.16611 175.7
[M+HCOO]- 402.16705 207.3
[M+CH3COO]- 416.18270 224.6
[M+Na-2H]- 378.14352 184.6
[M]+ 357.16830 185.3
[M]- 357.16940 185.3
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.