CID 53212

75231-25-3

Structural Information

Molecular Formula
C16H25N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCCN=C(N)N
InChI
InChI=1S/C16H25N3O5/c1-21-12-9-11(10-13(22-2)14(12)23-3)15(20)24-8-6-4-5-7-19-16(17)18/h9-10H,4-8H2,1-3H3,(H4,17,18,19)
InChIKey
JYINLGHQJFVGAF-UHFFFAOYSA-N
Compound name
5-(diaminomethylideneamino)pentyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1794 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.18668 181.0
[M+Na]+ 362.16862 187.6
[M+NH4]+ 357.21322 184.7
[M+K]+ 378.14256 184.0
[M-H]- 338.17212 181.5
[M+Na-2H]- 360.15407 182.6
[M]+ 339.17885 181.4
[M]- 339.17995 181.4
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.