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 198.8
[M+Na]+ 438.10922 216.7
[M+NH4]+ 433.15382 206.8
[M+K]+ 454.08316 205.4
[M-H]- 414.11272 207.9
[M+Na-2H]- 436.09467 211.3
[M]+ 415.11945 204.4
[M]- 415.12055 204.4
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.