CID 3050683

Brn 1192787

Structural Information

Molecular Formula
C25H28N4O5
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C(=C(C=C3)OC)OC)C(=O)N4CCOCC4
InChI
InChI=1S/C25H28N4O5/c1-17-22(25(31)29(27(17)2)19-8-6-5-7-9-19)26-16-18-10-11-20(32-3)23(33-4)21(18)24(30)28-12-14-34-15-13-28/h5-11,16H,12-15H2,1-4H3
InChIKey
OUTNAXWEJDAWGC-UHFFFAOYSA-N
Compound name
4-[[3,4-dimethoxy-2-(morpholine-4-carbonyl)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.20596 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.21324 214.2
[M+Na]+ 487.19518 220.9
[M-H]- 463.19868 225.4
[M+NH4]+ 482.23978 218.7
[M+K]+ 503.16912 217.4
[M+H-H2O]+ 447.20322 201.5
[M+HCOO]- 509.20416 231.5
[M+CH3COO]- 523.21981 239.8
[M+Na-2H]- 485.18063 210.8
[M]+ 464.20541 218.2
[M]- 464.20651 218.2
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.