CID 63768

4(3h)-quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3)

Structural Information

Molecular Formula
C20H27N3O2
SMILES
CCCCOC1=CC2=C(C=C1)C(=O)N(C=N2)CC#CCN(CC)CC
InChI
InChI=1S/C20H27N3O2/c1-4-7-14-25-17-10-11-18-19(15-17)21-16-23(20(18)24)13-9-8-12-22(5-2)6-3/h10-11,15-16H,4-7,12-14H2,1-3H3
InChIKey
INVLSFOCOCOSRJ-UHFFFAOYSA-N
Compound name
7-butoxy-3-[4-(diethylamino)but-2-ynyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.21033 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.217606 181.1
[M+Na]+ 364.199548 189.6
[M-H]- 340.203054 181.0
[M+NH4]+ 359.244153 191.8
[M+K]+ 380.173488 183.6
[M+H-H2O]+ 324.207590 165.2
[M+HCOO]- 386.208531 195.4
[M+CH3COO]- 400.224181 223.2
[M+Na-2H]- 362.184996 183.1
[M]+ 341.20978142 181.0
[M]- 341.21087858 181.0
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.