CID 2806522

81080-04-8

Structural Information

Molecular Formula
C14H10BrN3
SMILES
C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C14H10BrN3/c15-10-5-7-11(8-6-10)18-14-12-3-1-2-4-13(12)16-9-17-14/h1-9H,(H,16,17,18)
InChIKey
QHSMLFMOCOYDBD-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

299.0058 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.01308 157.2
[M+Na]+ 321.99502 168.6
[M-H]- 297.99852 164.6
[M+NH4]+ 317.03962 174.0
[M+K]+ 337.96896 155.7
[M+H-H2O]+ 282.00306 154.7
[M+HCOO]- 344.00400 177.2
[M+CH3COO]- 358.01965 170.7
[M+Na-2H]- 319.98047 168.2
[M]+ 299.00525 174.8
[M]- 299.00635 174.8
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.