CID 9588474

Brn 5640675

Structural Information

Molecular Formula
C22H23N5O3
SMILES
CC\1=NNC(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)N/N=C/C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C22H23N5O3/c1-15-20(22(29)26-24-15)12-16-6-10-19(11-7-16)30-14-21(28)25-23-13-17-4-8-18(9-5-17)27(2)3/h4-13H,14H2,1-3H3,(H,25,28)(H,26,29)/b20-12-,23-13+
InChIKey
ZLOOFOAIRJCRJX-SWZQWKNLSA-N
Compound name
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.18008 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.18736 197.6
[M+Na]+ 428.16930 202.3
[M-H]- 404.17280 206.2
[M+NH4]+ 423.21390 206.7
[M+K]+ 444.14324 197.7
[M+H-H2O]+ 388.17734 186.2
[M+HCOO]- 450.17828 221.2
[M+CH3COO]- 464.19393 232.7
[M+Na-2H]- 426.15475 197.7
[M]+ 405.17953 198.5
[M]- 405.18063 198.5
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.