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]+ 352.186676 181.6
[M+Na]+ 374.168618 184.8
[M-H]- 350.172124 188.0
[M+NH4]+ 369.213223 193.6
[M+K]+ 390.142558 184.4
[M+H-H2O]+ 334.176660 172.6
[M+HCOO]- 396.177601 203.2
[M+CH3COO]- 410.193251 223.3
[M+Na-2H]- 372.154066 180.0
[M]+ 351.17885142 181.1
[M]- 351.17994858 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.