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 181.6
[M+Na]+ 374.16862 184.8
[M-H]- 350.17212 188.0
[M+NH4]+ 369.21322 193.6
[M+K]+ 390.14256 184.4
[M+H-H2O]+ 334.17666 172.6
[M+HCOO]- 396.17760 203.2
[M+CH3COO]- 410.19325 223.3
[M+Na-2H]- 372.15407 180.0
[M]+ 351.17885 181.1
[M]- 351.17995 181.1
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.