CID 386797

Nsc679505

Structural Information

Molecular Formula
C22H23N5O5
SMILES
CCOC1=CC=CC=C1N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=CC=C3OC)C
InChI
InChI=1S/C22H23N5O5/c1-4-32-18-12-8-6-10-16(18)24-25-21-14(2)26-27(22(21)30)20(29)13-19(28)23-15-9-5-7-11-17(15)31-3/h5-12,21H,4,13H2,1-3H3,(H,23,28)
InChIKey
PGASFVQPYDAJNM-UHFFFAOYSA-N
Compound name
3-[4-[(2-ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-methoxyphenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.16992 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.17720 202.5
[M+Na]+ 460.15914 207.9
[M-H]- 436.16264 212.8
[M+NH4]+ 455.20374 210.9
[M+K]+ 476.13308 205.6
[M+H-H2O]+ 420.16718 190.7
[M+HCOO]- 482.16812 227.8
[M+CH3COO]- 496.18377 240.7
[M+Na-2H]- 458.14459 202.7
[M]+ 437.16937 208.3
[M]- 437.17047 208.3
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.