CID 63633

84138-21-6

Structural Information

Molecular Formula
C24H21BrN4O5
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)CNCC(CO)(C3=CC=C(C=C3)[N+](=O)[O-])O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C24H21BrN4O5/c25-17-7-11-18(12-8-17)28-22(27-21-4-2-1-3-20(21)23(28)31)13-26-14-24(32,15-30)16-5-9-19(10-6-16)29(33)34/h1-12,26,30,32H,13-15H2
InChIKey
JQQNIHLLRBDHBI-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-2-[[[2,3-dihydroxy-2-(4-nitrophenyl)propyl]amino]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.0695 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.07678 215.0
[M+Na]+ 547.05872 219.8
[M+NH4]+ 542.10332 216.4
[M+K]+ 563.03266 221.0
[M-H]- 523.06222 218.6
[M+Na-2H]- 545.04417 218.8
[M]+ 524.06895 215.5
[M]- 524.07005 215.5
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.