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]+ 358.176126 185.1
[M+Na]+ 380.158068 187.5
[M-H]- 356.161574 190.7
[M+NH4]+ 375.202673 195.7
[M+K]+ 396.132008 186.1
[M+H-H2O]+ 340.166110 175.7
[M+HCOO]- 402.167051 207.3
[M+CH3COO]- 416.182701 224.6
[M+Na-2H]- 378.143516 184.6
[M]+ 357.16830142 185.3
[M]- 357.16939858 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.