CID 11652770

Elatinate ae140

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC(=O)NO
InChI
InChI=1S/C19H22N2O3/c1-19(2,3)15-8-6-14(7-9-15)18(23)20-16-10-4-13(5-11-16)12-17(22)21-24/h4-11,24H,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKey
MTKKROGONOFQAF-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

326.16306 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 178.4
[M+Na]+ 349.15228 182.8
[M-H]- 325.15578 183.6
[M+NH4]+ 344.19688 191.0
[M+K]+ 365.12622 179.3
[M+H-H2O]+ 309.16032 170.5
[M+HCOO]- 371.16126 199.0
[M+CH3COO]- 385.17691 211.7
[M+Na-2H]- 347.13773 181.2
[M]+ 326.16251 177.6
[M]- 326.16361 177.6
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

patents stripe