CID 53210

75231-23-1

Structural Information

Molecular Formula
C15H23N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCN=C(N)N
InChI
InChI=1S/C15H23N3O5/c1-20-11-8-10(9-12(21-2)13(11)22-3)14(19)23-7-5-4-6-18-15(16)17/h8-9H,4-7H2,1-3H3,(H4,16,17,18)
InChIKey
PGYGIKXFLLOCBD-UHFFFAOYSA-N
Compound name
4-(diaminomethylideneamino)butyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.16376 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17104 176.6
[M+Na]+ 348.15298 183.5
[M+NH4]+ 343.19758 180.5
[M+K]+ 364.12692 180.1
[M-H]- 324.15648 177.2
[M+Na-2H]- 346.13843 178.5
[M]+ 325.16321 177.1
[M]- 325.16431 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.