CID 506195

Genz-6386

Structural Information

Molecular Formula
C17H9Cl2N5O2
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)C2=CN(N=C2)C3=NC=NC4=C3C=C(C=C4)Cl
InChI
InChI=1S/C17H9Cl2N5O2/c18-11-1-4-16-14(5-11)17(21-9-20-16)23-8-10(7-22-23)13-3-2-12(24(25)26)6-15(13)19/h1-9H
InChIKey
BGWOAYVTAGTSAE-UHFFFAOYSA-N
Compound name
6-chloro-4-[4-(2-chloro-4-nitrophenyl)pyrazol-1-yl]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.01334 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.02062 185.6
[M+Na]+ 408.00256 196.2
[M-H]- 384.00606 190.8
[M+NH4]+ 403.04716 194.4
[M+K]+ 423.97650 184.5
[M+H-H2O]+ 368.01060 178.4
[M+HCOO]- 430.01154 196.9
[M+CH3COO]- 444.02719 210.5
[M+Na-2H]- 405.98801 191.9
[M]+ 385.01279 189.2
[M]- 385.01389 189.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.