CID 1356476

1259484-97-3

Structural Information

Molecular Formula
C21H22N4O4
SMILES
CC(=NNC(=O)C1=CC(=NN1)C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C21H22N4O4/c1-13(15-7-10-19(28-3)20(11-15)29-4)22-25-21(26)18-12-17(23-24-18)14-5-8-16(27-2)9-6-14/h5-12H,1-4H3,(H,23,24)(H,25,26)
InChIKey
GMFUWEBOUKIKRP-UHFFFAOYSA-N
Compound name
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

9
Patents

394.1641 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17138 193.1
[M+Na]+ 417.15332 198.9
[M-H]- 393.15682 201.0
[M+NH4]+ 412.19792 202.4
[M+K]+ 433.12726 195.3
[M+H-H2O]+ 377.16136 182.2
[M+HCOO]- 439.16230 215.7
[M+CH3COO]- 453.17795 226.1
[M+Na-2H]- 415.13877 193.7
[M]+ 394.16355 196.8
[M]- 394.16465 196.8
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

patents stripe