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]+ 416.12728 201.0
[M+Na]+ 438.10922 209.8
[M-H]- 414.11272 212.3
[M+NH4]+ 433.15382 211.0
[M+K]+ 454.08316 202.5
[M+H-H2O]+ 398.11726 187.9
[M+HCOO]- 460.11820 222.7
[M+CH3COO]- 474.13385 210.9
[M+Na-2H]- 436.09467 208.0
[M]+ 415.11945 205.8
[M]- 415.12055 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.