CID 135518686

Akos024279835

Structural Information

Molecular Formula
C25H17ClN4O
SMILES
CC1=CC=C(C=C1)C2=CC(=NC(=N2)/N=C\3/C4=CC=CC=C4NC3=O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C25H17ClN4O/c1-15-6-8-16(9-7-15)21-14-22(17-10-12-18(26)13-11-17)29-25(28-21)30-23-19-4-2-3-5-20(19)27-24(23)31/h2-14H,1H3,(H,27,28,29,30,31)
InChIKey
SKONOXXPWHDJBQ-UHFFFAOYSA-N
Compound name
(3Z)-3-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]imino-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.1091 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.11638 205.1
[M+Na]+ 447.09832 215.2
[M-H]- 423.10182 215.0
[M+NH4]+ 442.14292 213.7
[M+K]+ 463.07226 204.8
[M+H-H2O]+ 407.10636 192.3
[M+HCOO]- 469.10730 219.6
[M+CH3COO]- 483.12295 213.8
[M+Na-2H]- 445.08377 206.1
[M]+ 424.10855 206.0
[M]- 424.10965 206.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.