CID 9569852

Brn 5164299

Structural Information

Molecular Formula
C23H17Cl2N5O
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1/N=C(/C3=CC=CC=C3Cl)\N=NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H17Cl2N5O/c1-2-21-26-20-10-6-4-8-18(20)23(31)30(21)29-22(17-7-3-5-9-19(17)25)28-27-16-13-11-15(24)12-14-16/h3-14H,2H2,1H3/b28-27?,29-22-
InChIKey
OXBHMCOIWFQAOI-STFICJARSA-N
Compound name
2-chloro-N-(4-chlorophenyl)imino-N'-(2-ethyl-4-oxoquinazolin-3-yl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.08102 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.08830 208.3
[M+Na]+ 472.07024 218.3
[M-H]- 448.07374 218.9
[M+NH4]+ 467.11484 217.7
[M+K]+ 488.04418 210.4
[M+H-H2O]+ 432.07828 195.7
[M+HCOO]- 494.07922 224.8
[M+CH3COO]- 508.09487 217.7
[M+Na-2H]- 470.05569 213.5
[M]+ 449.08047 215.1
[M]- 449.08157 215.1
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.