CID 165895367

En300-7492559

Structural Information

Molecular Formula
C22H18BrN3O4
SMILES
C1CN2C(=NC(=C2Br)C(=O)O)CN1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C22H18BrN3O4/c23-20-19(21(27)28)24-18-11-25(9-10-26(18)20)22(29)30-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,27,28)
InChIKey
QGVFCHCBRRUJBF-UHFFFAOYSA-N
Compound name
3-bromo-7-(9H-fluoren-9-ylmethoxycarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.04807 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.05535 204.3
[M+Na]+ 490.03729 214.0
[M-H]- 466.04079 211.5
[M+NH4]+ 485.08189 217.9
[M+K]+ 506.01123 202.7
[M+H-H2O]+ 450.04533 202.6
[M+HCOO]- 512.04627 215.3
[M+CH3COO]- 526.06192 214.0
[M+Na-2H]- 488.02274 203.6
[M]+ 467.04752 223.7
[M]- 467.04862 223.7
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.