CID 16205735

3,4-dihydro-3-butyl-2-methyl-4-oxo-1-(phenylmethyl)quinazolinium perchlorate

Structural Information

Molecular Formula
C20H23N2O
SMILES
CCCCN1C(=[N+](C2=CC=CC=C2C1=O)CC3=CC=CC=C3)C
InChI
InChI=1S/C20H23N2O/c1-3-4-14-21-16(2)22(15-17-10-6-5-7-11-17)19-13-9-8-12-18(19)20(21)23/h5-13H,3-4,14-15H2,1-2H3/q+1
InChIKey
CUSKLFFISWGOJY-UHFFFAOYSA-N
Compound name
1-benzyl-3-butyl-2-methylquinazolin-1-ium-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.18103 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18831 173.5
[M+Na]+ 330.17025 192.9
[M+NH4]+ 325.21485 183.1
[M+K]+ 346.14419 183.3
[M-H]- 306.17375 180.2
[M+Na-2H]- 328.15570 183.7
[M]+ 307.18048 178.8
[M]- 307.18158 178.8
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.