CID 6861472

Akos000979905

Structural Information

Molecular Formula
C15H22N2O5
SMILES
CC(C)(C)OC(=O)N/N=C/C1=C(C(=C(C=C1)OC)OC)OC
InChI
InChI=1S/C15H22N2O5/c1-15(2,3)22-14(18)17-16-9-10-7-8-11(19-4)13(21-6)12(10)20-5/h7-9H,1-6H3,(H,17,18)/b16-9+
InChIKey
QRUPTWVRAOMUBB-CXUHLZMHSA-N
Compound name
tert-butyl N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.15286 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16014 171.2
[M+Na]+ 333.14208 178.0
[M-H]- 309.14558 176.5
[M+NH4]+ 328.18668 186.7
[M+K]+ 349.11602 178.3
[M+H-H2O]+ 293.15012 163.9
[M+HCOO]- 355.15106 196.2
[M+CH3COO]- 369.16671 212.8
[M+Na-2H]- 331.12753 175.2
[M]+ 310.15231 179.2
[M]- 310.15341 179.2
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.