CID 6480852

Schembl5376613

Structural Information

Molecular Formula
C17H18N2O4
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O
InChI
InChI=1S/C17H18N2O4/c1-17(2,3)12-6-4-11(5-7-12)16(21)18-14-10-13(19(22)23)8-9-15(14)20/h4-10,20H,1-3H3,(H,18,21)
InChIKey
YCNQUFFOZVXQJM-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(2-hydroxy-5-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

314.12665 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 170.9
[M+Na]+ 337.11587 176.2
[M-H]- 313.11937 176.6
[M+NH4]+ 332.16047 183.6
[M+K]+ 353.08981 168.9
[M+H-H2O]+ 297.12391 168.0
[M+HCOO]- 359.12485 192.8
[M+CH3COO]- 373.14050 201.0
[M+Na-2H]- 335.10132 176.7
[M]+ 314.12610 169.2
[M]- 314.12720 169.2
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.