CID 3074669

160662-12-4

Structural Information

Molecular Formula
C22H20N4O3
SMILES
CCOC(=O)CC1=C(N(N=C1)C)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C22H20N4O3/c1-3-29-19(27)13-16-14-23-25(2)21(16)26-20(15-9-5-4-6-10-15)24-18-12-8-7-11-17(18)22(26)28/h4-12,14H,3,13H2,1-2H3
InChIKey
MDLQINIZXWWQRG-UHFFFAOYSA-N
Compound name
ethyl 2-[1-methyl-5-(4-oxo-2-phenylquinazolin-3-yl)pyrazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.15353 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16081 193.1
[M+Na]+ 411.14275 210.3
[M+NH4]+ 406.18735 198.8
[M+K]+ 427.11669 204.2
[M-H]- 387.14625 197.2
[M+Na-2H]- 409.12820 202.1
[M]+ 388.15298 196.8
[M]- 388.15408 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.