CID 3694021

Pygmaniline b

Structural Information

Molecular Formula
C17H20N2O5
SMILES
COC1=CC(=C(C=C1)NC(=O)NC2=C(C=C(C=C2)OC)OC)OC
InChI
InChI=1S/C17H20N2O5/c1-21-11-5-7-13(15(9-11)23-3)18-17(20)19-14-8-6-12(22-2)10-16(14)24-4/h5-10H,1-4H3,(H2,18,19,20)
InChIKey
XXHWTNYJQYPNGF-UHFFFAOYSA-N
Compound name
1,3-bis(2,4-dimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14448 177.6
[M+Na]+ 355.12642 189.1
[M+NH4]+ 350.17102 183.3
[M+K]+ 371.10036 183.6
[M-H]- 331.12992 181.3
[M+Na-2H]- 353.11187 184.1
[M]+ 332.13665 180.0
[M]- 332.13775 180.0
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.