CID 3066783

111218-74-7

Structural Information

Molecular Formula
C17H15Br2N5O2
SMILES
C1CN(CCN1C2=NC3=C(C=C(C=C3Br)Br)C(=N2)N)C(=O)C4=CC=CO4
InChI
InChI=1S/C17H15Br2N5O2/c18-10-8-11-14(12(19)9-10)21-17(22-15(11)20)24-5-3-23(4-6-24)16(25)13-2-1-7-26-13/h1-2,7-9H,3-6H2,(H2,20,21,22)
InChIKey
YMEQPKXCBWVGRP-UHFFFAOYSA-N
Compound name
[4-(4-amino-6,8-dibromoquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.95926 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.96654 179.3
[M+Na]+ 501.94848 188.7
[M-H]- 477.95198 187.7
[M+NH4]+ 496.99308 189.0
[M+K]+ 517.92242 174.6
[M+H-H2O]+ 461.95652 185.1
[M+HCOO]- 523.95746 189.4
[M+CH3COO]- 537.97311 189.8
[M+Na-2H]- 499.93393 182.6
[M]+ 478.95871 212.2
[M]- 478.95981 212.2
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.