CID 90229466

Schembl15809035

Structural Information

Molecular Formula
C19H18N4O3
SMILES
COC(=O)C1=CC=C(C=C1)CN=C(N)N/N=C/C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C19H18N4O3/c1-25-18(24)14-8-6-13(7-9-14)11-21-19(20)23-22-12-16-10-15-4-2-3-5-17(15)26-16/h2-10,12H,11H2,1H3,(H3,20,21,23)/b22-12+
InChIKey
WGIBSILJKFPWDM-WSDLNYQXSA-N
Compound name
methyl 4-[[[amino-[(2E)-2-(1-benzofuran-2-ylmethylidene)hydrazinyl]methylidene]amino]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

350.13788 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.145156 182.2
[M+Na]+ 373.127098 188.3
[M-H]- 349.130604 193.0
[M+NH4]+ 368.171703 196.3
[M+K]+ 389.101038 186.2
[M+H-H2O]+ 333.135140 172.7
[M+HCOO]- 395.136081 211.5
[M+CH3COO]- 409.151731 224.4
[M+Na-2H]- 371.112546 187.9
[M]+ 350.13733142 185.9
[M]- 350.13842858 185.9
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.