CID 51051

Acetamide, n-(3,4-dihydro-4-oxo-3-quinazolinylmethyl)-2-(n-methylanilino)-, trihydrochloride

Structural Information

Molecular Formula
C18H18N4O2
SMILES
CN(CC(=O)NCN1C=NC2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C18H18N4O2/c1-21(14-7-3-2-4-8-14)11-17(23)20-13-22-12-19-16-10-6-5-9-15(16)18(22)24/h2-10,12H,11,13H2,1H3,(H,20,23)
InChIKey
UZFUJVPOVUIRAM-UHFFFAOYSA-N
Compound name
2-(N-methylanilino)-N-[(4-oxoquinazolin-3-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.14297 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.150246 174.4
[M+Na]+ 345.132188 180.8
[M-H]- 321.135694 180.3
[M+NH4]+ 340.176793 186.3
[M+K]+ 361.106128 176.7
[M+H-H2O]+ 305.140230 163.5
[M+HCOO]- 367.141171 196.7
[M+CH3COO]- 381.156821 215.4
[M+Na-2H]- 343.117636 181.5
[M]+ 322.14242142 175.8
[M]- 322.14351858 175.8
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.