CID 5328227

Ebe-a22

Structural Information

Molecular Formula
C17H16BrN3O2
SMILES
CN(C1=CC(=CC=C1)Br)C2=NC=NC3=CC(=C(C=C32)OC)OC
InChI
InChI=1S/C17H16BrN3O2/c1-21(12-6-4-5-11(18)7-12)17-13-8-15(22-2)16(23-3)9-14(13)19-10-20-17/h4-10H,1-3H3
InChIKey
IPWGDOZPSOZFOD-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

170
References

2
Patents

373.0426 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04988 177.1
[M+Na]+ 396.03182 188.5
[M-H]- 372.03532 186.0
[M+NH4]+ 391.07642 191.9
[M+K]+ 412.00576 177.6
[M+H-H2O]+ 356.03986 173.5
[M+HCOO]- 418.04080 196.7
[M+CH3COO]- 432.05645 218.8
[M+Na-2H]- 394.01727 184.3
[M]+ 373.04205 200.0
[M]- 373.04315 200.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe