CID 9571032

Brn 5143125

Structural Information

Molecular Formula
C22H16ClN5O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1/N=C(/C3=CC=CC=C3)\N=NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H16ClN5O/c1-15-24-20-10-6-5-9-19(20)22(29)28(15)27-21(16-7-3-2-4-8-16)26-25-18-13-11-17(23)12-14-18/h2-14H,1H3/b26-25?,27-21-
InChIKey
AJKIDPVPUPPJSV-OBWOFCCJSA-N
Compound name
N-(4-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 196.6
[M+Na]+ 424.09356 205.9
[M-H]- 400.09706 208.1
[M+NH4]+ 419.13816 207.1
[M+K]+ 440.06750 198.8
[M+H-H2O]+ 384.10160 183.7
[M+HCOO]- 446.10254 218.7
[M+CH3COO]- 460.11819 207.0
[M+Na-2H]- 422.07901 204.1
[M]+ 401.10379 201.1
[M]- 401.10489 201.1
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.