CID 3074667

160662-10-2

Structural Information

Molecular Formula
C17H18N4O3
SMILES
CCOC(=O)CC1=C(N(N=C1)C)N2C(=NC3=CC=CC=C3C2=O)C
InChI
InChI=1S/C17H18N4O3/c1-4-24-15(22)9-12-10-18-20(3)16(12)21-11(2)19-14-8-6-5-7-13(14)17(21)23/h5-8,10H,4,9H2,1-3H3
InChIKey
XZIATLQDPNXYAO-UHFFFAOYSA-N
Compound name
ethyl 2-[1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13788 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14516 176.4
[M+Na]+ 349.12710 191.7
[M+NH4]+ 344.17170 181.8
[M+K]+ 365.10104 187.2
[M-H]- 325.13060 177.7
[M+Na-2H]- 347.11255 182.6
[M]+ 326.13733 178.9
[M]- 326.13843 178.9
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.