CID 63828

71477-00-4

Structural Information

Molecular Formula
C22H17Br2N3O3
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1N(CC3=C(C=C(C=C3)O)O)C4=CC=CC=C4
InChI
InChI=1S/C22H17Br2N3O3/c1-13-25-21-18(9-15(23)10-19(21)24)22(30)27(13)26(16-5-3-2-4-6-16)12-14-7-8-17(28)11-20(14)29/h2-11,28-29H,12H2,1H3
InChIKey
NHBLKMGPWCTQCM-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-[N-[(2,4-dihydroxyphenyl)methyl]anilino]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.9637 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.97098 191.7
[M+Na]+ 551.95292 200.3
[M-H]- 527.95642 200.5
[M+NH4]+ 546.99752 200.6
[M+K]+ 567.92686 185.3
[M+H-H2O]+ 511.96096 196.2
[M+HCOO]- 573.96190 203.1
[M+CH3COO]- 587.97755 201.4
[M+Na-2H]- 549.93837 195.2
[M]+ 528.96315 226.3
[M]- 528.96425 226.3
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.