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 178.6
[M+Na]+ 330.17025 187.5
[M-H]- 306.17375 183.7
[M+NH4]+ 325.21485 191.7
[M+K]+ 346.14419 175.5
[M+H-H2O]+ 290.17829 171.0
[M+HCOO]- 352.17923 197.7
[M+CH3COO]- 366.19488 202.2
[M+Na-2H]- 328.15570 185.5
[M]+ 307.18048 180.2
[M]- 307.18158 180.2
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.