CID 9569842

Brn 5148374

Structural Information

Molecular Formula
C22H16ClN5O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1/N=C(/C3=CC=CC=C3)\N=NC4=CC=CC=C4Cl
InChI
InChI=1S/C22H16ClN5O/c1-15-24-19-13-7-5-11-17(19)22(29)28(15)27-21(16-9-3-2-4-10-16)26-25-20-14-8-6-12-18(20)23/h2-14H,1H3/b26-25?,27-21-
InChIKey
UOXGCYUEQZNOIU-OBWOFCCJSA-N
Compound name
N-(2-chlorophenyl)imino-N'-(2-methyl-4-oxoquinazolin-3-yl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.10434 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.11162 194.3
[M+Na]+ 424.09356 212.4
[M+NH4]+ 419.13816 202.5
[M+K]+ 440.06750 201.3
[M-H]- 400.09706 203.4
[M+Na-2H]- 422.07901 207.1
[M]+ 401.10379 199.9
[M]- 401.10489 199.9
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.