CID 121201

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

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CCN(CC)CC#CCN1C2=CC=CC=C2C(=O)N(C1=O)C
InChI
InChI=1S/C17H21N3O2/c1-4-19(5-2)12-8-9-13-20-15-11-7-6-10-14(15)16(21)18(3)17(20)22/h6-7,10-11H,4-5,12-13H2,1-3H3
InChIKey
HWJHSGSJEYAUGB-UHFFFAOYSA-N
Compound name
1-[4-(diethylamino)but-2-ynyl]-3-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 169.7
[M+Na]+ 322.15262 180.4
[M-H]- 298.15612 170.5
[M+NH4]+ 317.19722 182.2
[M+K]+ 338.12656 174.6
[M+H-H2O]+ 282.16066 154.7
[M+HCOO]- 344.16160 185.0
[M+CH3COO]- 358.17725 215.7
[M+Na-2H]- 320.13807 172.3
[M]+ 299.16285 168.4
[M]- 299.16395 168.4
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.