CID 9570972

Ammonium, (((3,4,5-trimethoxybenzylidene)hydrazino)carbonylmethylene)-trimethyl-, chloride

Structural Information

Molecular Formula
C15H24N3O4
SMILES
C[N+](C)(C)CC(=O)N/N=C/C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C15H23N3O4/c1-18(2,3)10-14(19)17-16-9-11-7-12(20-4)15(22-6)13(8-11)21-5/h7-9H,10H2,1-6H3/p+1/b16-9+
InChIKey
BQQTYFYHEDLIFO-CXUHLZMHSA-O
Compound name
trimethyl-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.17667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18395 169.7
[M+Na]+ 333.16589 175.7
[M-H]- 309.16939 176.4
[M+NH4]+ 328.21049 185.4
[M+K]+ 349.13983 170.4
[M+H-H2O]+ 293.17393 164.8
[M+HCOO]- 355.17487 196.4
[M+CH3COO]- 369.19052 212.0
[M+Na-2H]- 331.15134 177.1
[M]+ 310.17612 175.5
[M]- 310.17722 175.5
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.