CID 3041055

Jlb 30i

Structural Information

Molecular Formula
C21H24N3O3
SMILES
C[N+]1(CCOCC1)CCN2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4
InChI
InChI=1S/C21H24N3O3/c1-24(13-15-27-16-14-24)12-11-22-19-10-6-5-9-18(19)20(25)23(21(22)26)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3/q+1
InChIKey
ZITKKWCOQWABMV-UHFFFAOYSA-N
Compound name
1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-3-phenylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.18176 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.18904 190.6
[M+Na]+ 389.17098 198.1
[M-H]- 365.17448 197.4
[M+NH4]+ 384.21558 199.6
[M+K]+ 405.14492 187.4
[M+H-H2O]+ 349.17902 180.2
[M+HCOO]- 411.17996 204.2
[M+CH3COO]- 425.19561 208.2
[M+Na-2H]- 387.15643 197.8
[M]+ 366.18121 188.4
[M]- 366.18231 188.4
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.