CID 121199

3-(4-(diethylamino)-2-butynyl)-1-methyl-2,4(1h,3h)-quinazolinedione hydrochloride

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CCN(CC)CC#CCN1C(=O)C2=CC=CC=C2N(C1=O)C
InChI
InChI=1S/C17H21N3O2/c1-4-19(5-2)12-8-9-13-20-16(21)14-10-6-7-11-15(14)18(3)17(20)22/h6-7,10-11H,4-5,12-13H2,1-3H3
InChIKey
FGDGNGRXQNVWRR-UHFFFAOYSA-N
Compound name
3-[4-(diethylamino)but-2-ynyl]-1-methylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17068 171.2
[M+Na]+ 322.15262 184.3
[M+NH4]+ 317.19722 174.2
[M+K]+ 338.12656 173.9
[M-H]- 298.15612 164.8
[M+Na-2H]- 320.13807 173.1
[M]+ 299.16285 170.4
[M]- 299.16395 170.4
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.