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 212.9
[M+Na]+ 487.19518 226.4
[M+NH4]+ 482.23978 216.9
[M+K]+ 503.16912 222.3
[M-H]- 463.19868 219.5
[M+Na-2H]- 485.18063 219.2
[M]+ 464.20541 216.5
[M]- 464.20651 216.5
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.