CID 3043469

55559-09-6

Structural Information

Molecular Formula
C21H26N3O2
SMILES
CC[N+](C)(CC)CCN1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C21H26N3O2/c1-4-24(3,5-2)16-15-22-19-14-10-9-13-18(19)20(25)23(21(22)26)17-11-7-6-8-12-17/h6-14H,4-5,15-16H2,1-3H3/q+1
InChIKey
IBQNALNTGMWVPP-UHFFFAOYSA-N
Compound name
2-(2,4-dioxo-3-phenylquinazolin-1-yl)ethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2025 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20978 187.3
[M+Na]+ 375.19172 195.6
[M-H]- 351.19522 193.8
[M+NH4]+ 370.23632 199.1
[M+K]+ 391.16566 184.5
[M+H-H2O]+ 335.19976 179.5
[M+HCOO]- 397.20070 207.1
[M+CH3COO]- 411.21635 214.0
[M+Na-2H]- 373.17717 196.0
[M]+ 352.20195 190.1
[M]- 352.20305 190.1
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.