CID 48501

66941-37-5

Structural Information

Molecular Formula
C15H24N3O4
SMILES
CN(C)C(=O)OC1=CC(=CC(=C1)[N+](C)(C)C)OC(=O)N(C)C
InChI
InChI=1S/C15H24N3O4/c1-16(2)14(19)21-12-8-11(18(5,6)7)9-13(10-12)22-15(20)17(3)4/h8-10H,1-7H3/q+1
InChIKey
CZVFQYIDXCUDEX-UHFFFAOYSA-N
Compound name
[3,5-bis(dimethylcarbamoyloxy)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.17667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18395 169.0
[M+Na]+ 333.16589 174.1
[M-H]- 309.16939 177.2
[M+NH4]+ 328.21049 185.1
[M+K]+ 349.13983 171.3
[M+H-H2O]+ 293.17393 164.3
[M+HCOO]- 355.17487 194.4
[M+CH3COO]- 369.19052 214.4
[M+Na-2H]- 331.15134 174.1
[M]+ 310.17612 174.3
[M]- 310.17722 174.3
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.