CID 3041392

1,3,4-oxadiazole-2-methanol, 5-(3,4,5-trimethoxyphenyl)-, methylcarbamate (ester)

Structural Information

Molecular Formula
C14H17N3O6
SMILES
CNC(=O)OCC1=NN=C(O1)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C14H17N3O6/c1-15-14(18)22-7-11-16-17-13(23-11)8-5-9(19-2)12(21-4)10(6-8)20-3/h5-6H,7H2,1-4H3,(H,15,18)
InChIKey
NAPXTRTWGFUGFI-UHFFFAOYSA-N
Compound name
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11172 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.11900 170.9
[M+Na]+ 346.10094 179.4
[M-H]- 322.10444 176.7
[M+NH4]+ 341.14554 182.8
[M+K]+ 362.07488 179.8
[M+H-H2O]+ 306.10898 161.9
[M+HCOO]- 368.10992 193.8
[M+CH3COO]- 382.12557 208.5
[M+Na-2H]- 344.08639 173.9
[M]+ 323.11117 180.2
[M]- 323.11227 180.2
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.