CID 24212695

853318-67-9

Structural Information

Molecular Formula
C19H19BrN2O
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)Br
InChI
InChI=1S/C19H19BrN2O/c1-19(2,3)14-6-4-13(5-7-14)11-22-12-21-17-9-8-15(20)10-16(17)18(22)23/h4-10,12H,11H2,1-3H3
InChIKey
WEYSSHUQQDKXDC-UHFFFAOYSA-N
Compound name
6-bromo-3-[(4-tert-butylphenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.06808 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.075356 181.7
[M+Na]+ 393.057298 194.1
[M-H]- 369.060804 189.4
[M+NH4]+ 388.101903 196.7
[M+K]+ 409.031238 181.0
[M+H-H2O]+ 353.065340 179.4
[M+HCOO]- 415.066281 197.8
[M+CH3COO]- 429.081931 213.8
[M+Na-2H]- 391.042746 188.5
[M]+ 370.06753142 202.2
[M]- 370.06862858 202.2
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.