CID 37190

35607-25-1

Structural Information

Molecular Formula
C17H20N4O4
SMILES
COC1=C(C(=CC(=C1)C(=O)NN=C(N)N)OCC2=CC=CC=C2)OC
InChI
InChI=1S/C17H20N4O4/c1-23-13-8-12(16(22)20-21-17(18)19)9-14(15(13)24-2)25-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,20,22)(H4,18,19,21)
InChIKey
APWATYLEHSWMKN-UHFFFAOYSA-N
Compound name
N-(diaminomethylideneamino)-3,4-dimethoxy-5-phenylmethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.14847 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.155746 179.4
[M+Na]+ 367.137688 183.9
[M-H]- 343.141194 186.5
[M+NH4]+ 362.182293 191.3
[M+K]+ 383.111628 182.4
[M+H-H2O]+ 327.145730 169.5
[M+HCOO]- 389.146671 206.1
[M+CH3COO]- 403.162321 224.0
[M+Na-2H]- 365.123136 181.5
[M]+ 344.14792142 180.5
[M]- 344.14901858 180.5
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.