CID 9569843

Brn 5159036

Structural Information

Molecular Formula
C22H15Cl2N5O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1/N=C(/C3=CC=CC=C3)\N=NC4=C(C=CC(=C4)Cl)Cl
InChI
InChI=1S/C22H15Cl2N5O/c1-14-25-19-10-6-5-9-17(19)22(30)29(14)28-21(15-7-3-2-4-8-15)27-26-20-13-16(23)11-12-18(20)24/h2-13H,1H3/b27-26?,28-21-
InChIKey
YTGGRSMFHXTHKG-PARUYMKBSA-N
Compound name
N-(2,5-dichlorophenyl)imino-N'-(2-methyl-4-oxoquinazolin-3-yl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.06537 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.07265 204.0
[M+Na]+ 458.05459 214.4
[M-H]- 434.05809 214.8
[M+NH4]+ 453.09919 213.9
[M+K]+ 474.02853 206.7
[M+H-H2O]+ 418.06263 191.6
[M+HCOO]- 480.06357 220.8
[M+CH3COO]- 494.07922 213.8
[M+Na-2H]- 456.04004 209.7
[M]+ 435.06482 210.5
[M]- 435.06592 210.5
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.