CID 1208159

111218-73-6

Structural Information

Molecular Formula
C17H16BrN5O2
SMILES
C1CN(CCN1C2=NC3=C(C=C(C=C3)Br)C(=N2)N)C(=O)C4=CC=CO4
InChI
InChI=1S/C17H16BrN5O2/c18-11-3-4-13-12(10-11)15(19)21-17(20-13)23-7-5-22(6-8-23)16(24)14-2-1-9-25-14/h1-4,9-10H,5-8H2,(H2,19,20,21)
InChIKey
MPAIBNCLPBBQKT-UHFFFAOYSA-N
Compound name
[4-(4-amino-6-bromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

401.04874 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.05602 187.5
[M+Na]+ 424.03796 192.0
[M+NH4]+ 419.08256 190.3
[M+K]+ 440.01190 193.4
[M-H]- 400.04146 190.9
[M+Na-2H]- 422.02341 190.6
[M]+ 401.04819 187.9
[M]- 401.04929 187.9
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.