CID 9569851

Brn 5151242

Structural Information

Molecular Formula
C23H18ClN5O
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1/N=C(/C3=CC=CC=C3)\N=NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H18ClN5O/c1-2-21-25-20-11-7-6-10-19(20)23(30)29(21)28-22(16-8-4-3-5-9-16)27-26-18-14-12-17(24)13-15-18/h3-15H,2H2,1H3/b27-26?,28-22-
InChIKey
UMTVPRCWTCIJFA-ZZSBHYMWSA-N
Compound name
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

415.12 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.127276 201.0
[M+Na]+ 438.109218 209.8
[M-H]- 414.112724 212.3
[M+NH4]+ 433.153823 211.0
[M+K]+ 454.083158 202.5
[M+H-H2O]+ 398.117260 187.9
[M+HCOO]- 460.118201 222.7
[M+CH3COO]- 474.133851 210.9
[M+Na-2H]- 436.094666 208.0
[M]+ 415.11945142 205.8
[M]- 415.12054858 205.8
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.