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

25
Patents

326.16306 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.170336 178.4
[M+Na]+ 349.152278 182.8
[M-H]- 325.155784 183.6
[M+NH4]+ 344.196883 191.0
[M+K]+ 365.126218 179.3
[M+H-H2O]+ 309.160320 170.5
[M+HCOO]- 371.161261 199.0
[M+CH3COO]- 385.176911 211.7
[M+Na-2H]- 347.137726 181.2
[M]+ 326.16251142 177.6
[M]- 326.16360858 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