CID 4207408

Dtxsid501124579

Structural Information

Molecular Formula
C19H18N4O3
SMILES
CCOC1=C(C=CC(=C1)C=NN2C(=NN=C(C2=O)C3=CC=CC=C3)C)O
InChI
InChI=1S/C19H18N4O3/c1-3-26-17-11-14(9-10-16(17)24)12-20-23-13(2)21-22-18(19(23)25)15-7-5-4-6-8-15/h4-12,24H,3H2,1-2H3
InChIKey
JBWHAVALEPVDDF-UHFFFAOYSA-N
Compound name
4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13788 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14516 184.6
[M+Na]+ 373.12710 194.2
[M-H]- 349.13060 191.1
[M+NH4]+ 368.17170 193.1
[M+K]+ 389.10104 188.1
[M+H-H2O]+ 333.13514 172.6
[M+HCOO]- 395.13608 206.1
[M+CH3COO]- 409.15173 216.1
[M+Na-2H]- 371.11255 189.3
[M]+ 350.13733 187.9
[M]- 350.13843 187.9
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.