CID 6480772

Schembl5564480

Structural Information

Molecular Formula
C15H12BrN3
SMILES
CC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)Br
InChI
InChI=1S/C15H12BrN3/c1-10-2-7-14-13(8-10)15(18-9-17-14)19-12-5-3-11(16)4-6-12/h2-9H,1H3,(H,17,18,19)
InChIKey
YEGXTVRHSLSZJY-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-6-methylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

313.02145 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.02873 162.3
[M+Na]+ 336.01067 174.2
[M-H]- 312.01417 169.9
[M+NH4]+ 331.05527 178.9
[M+K]+ 351.98461 161.1
[M+H-H2O]+ 296.01871 159.8
[M+HCOO]- 358.01965 182.0
[M+CH3COO]- 372.03530 175.8
[M+Na-2H]- 333.99612 172.0
[M]+ 313.02090 180.6
[M]- 313.02200 180.6
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