CID 9554837

Nsc 204381

Structural Information

Molecular Formula
C19H20N4O4
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)CC(=O)N/N=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C19H20N4O4/c1-26-16-7-3-14(4-8-16)12-20-22-18(24)11-19(25)23-21-13-15-5-9-17(27-2)10-6-15/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)/b20-12+,21-13+
InChIKey
PSLFJXMSWPLIPH-ZIOPAAQOSA-N
Compound name
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

368.14847 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15575 185.8
[M+Na]+ 391.13769 189.6
[M-H]- 367.14119 194.6
[M+NH4]+ 386.18229 197.5
[M+K]+ 407.11163 187.7
[M+H-H2O]+ 351.14573 175.1
[M+HCOO]- 413.14667 215.0
[M+CH3COO]- 427.16232 229.0
[M+Na-2H]- 389.12314 190.1
[M]+ 368.14792 189.4
[M]- 368.14902 189.4
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.