CID 71520717

1418033-25-6

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CC1=CC(=CC(=C1)C(=O)NOCCCCCC(=O)NO)C
InChI
InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKey
VRYZCEONIWEUAV-UHFFFAOYSA-N
Compound name
N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

392
Patents

294.15796 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 169.8
[M+Na]+ 317.14718 174.1
[M-H]- 293.15068 171.5
[M+NH4]+ 312.19178 183.9
[M+K]+ 333.12112 172.0
[M+H-H2O]+ 277.15522 162.2
[M+HCOO]- 339.15616 192.1
[M+CH3COO]- 353.17181 206.3
[M+Na-2H]- 315.13263 171.1
[M]+ 294.15741 172.0
[M]- 294.15851 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe