CID 53206

75231-20-8

Structural Information

Molecular Formula
C13H19N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OCCN=C(N)N
InChI
InChI=1S/C13H19N3O5/c1-18-9-6-8(7-10(19-2)11(9)20-3)12(17)21-5-4-16-13(14)15/h6-7H,4-5H2,1-3H3,(H4,14,15,16)
InChIKey
JYNIXQCRJREXGW-UHFFFAOYSA-N
Compound name
2-(diaminomethylideneamino)ethyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.13248 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13976 166.6
[M+Na]+ 320.12170 172.5
[M-H]- 296.12520 170.8
[M+NH4]+ 315.16630 181.3
[M+K]+ 336.09564 172.7
[M+H-H2O]+ 280.12974 158.4
[M+HCOO]- 342.13068 192.5
[M+CH3COO]- 356.14633 212.9
[M+Na-2H]- 318.10715 167.6
[M]+ 297.13193 170.9
[M]- 297.13303 170.9
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.