CID 63692

Brn 5350419

Structural Information

Molecular Formula
C20H15BrN2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CCOC3=CC4=C(C=C3)C=C(C=C4)Br
InChI
InChI=1S/C20H15BrN2O2/c21-16-7-5-15-12-17(8-6-14(15)11-16)25-10-9-23-13-22-19-4-2-1-3-18(19)20(23)24/h1-8,11-13H,9-10H2
InChIKey
FWYUZCPOGVWZEI-UHFFFAOYSA-N
Compound name
3-[2-(6-bromonaphthalen-2-yl)oxyethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

394.03168 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.03896 184.3
[M+Na]+ 417.02090 197.2
[M-H]- 393.02440 192.7
[M+NH4]+ 412.06550 198.6
[M+K]+ 432.99484 184.1
[M+H-H2O]+ 377.02894 180.8
[M+HCOO]- 439.02988 202.4
[M+CH3COO]- 453.04553 196.7
[M+Na-2H]- 415.00635 193.4
[M]+ 394.03113 206.5
[M]- 394.03223 206.5
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

patents stripe