CID 3057638

7-quinazolinecarboxamide, 3,4-dihydro-n-butyl-2-methyl-3-(2-methylphenyl)-4-oxo-, hydrochloride, hydrate (2:2:1)

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)C)C3=CC=CC=C3C
InChI
InChI=1S/C21H23N3O2/c1-4-5-12-22-20(25)16-10-11-17-18(13-16)23-15(3)24(21(17)26)19-9-7-6-8-14(19)2/h6-11,13H,4-5,12H2,1-3H3,(H,22,25)
InChIKey
QTWSMEILZGCDQM-UHFFFAOYSA-N
Compound name
N-butyl-2-methyl-3-(2-methylphenyl)-4-oxoquinazoline-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17902 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 185.8
[M+Na]+ 372.16824 201.2
[M+NH4]+ 367.21284 192.5
[M+K]+ 388.14218 192.7
[M-H]- 348.17174 190.1
[M+Na-2H]- 370.15369 193.2
[M]+ 349.17847 189.2
[M]- 349.17957 189.2
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.