CID 212090

3-ethyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1h,3h)-quinazolinedione oxalate

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CCN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3
InChI
InChI=1S/C18H21N3O2/c1-2-20-17(22)15-9-3-4-10-16(15)21(18(20)23)14-8-7-13-19-11-5-6-12-19/h3-4,9-10H,2,5-6,11-14H2,1H3
InChIKey
VBMULESVHNYSGX-UHFFFAOYSA-N
Compound name
3-ethyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1634 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 176.1
[M+Na]+ 334.15262 189.0
[M+NH4]+ 329.19722 179.2
[M+K]+ 350.12656 179.8
[M-H]- 310.15612 169.8
[M+Na-2H]- 332.13807 177.7
[M]+ 311.16285 175.2
[M]- 311.16395 175.2
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.