CID 53202

75230-99-8

Structural Information

Molecular Formula
C17H25N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCC(CC2)N=C(N)N
InChI
InChI=1S/C17H25N3O5/c1-22-13-8-10(9-14(23-2)15(13)24-3)16(21)25-12-6-4-11(5-7-12)20-17(18)19/h8-9,11-12H,4-7H2,1-3H3,(H4,18,19,20)
InChIKey
YFECKBXLIMYDIU-UHFFFAOYSA-N
Compound name
[4-(diaminomethylideneamino)cyclohexyl] 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1794 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.18668 182.6
[M+Na]+ 374.16862 189.6
[M+NH4]+ 369.21322 187.2
[M+K]+ 390.14256 186.1
[M-H]- 350.17212 185.5
[M+Na-2H]- 372.15407 185.4
[M]+ 351.17885 183.7
[M]- 351.17995 183.7
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.