CID 25115203

4-(4-(4-chloronaphthalen-1-yloxy)-5-methylpyrimidin-2-ylamino)-benzonitrile

Structural Information

Molecular Formula
C22H15ClN4O
SMILES
CC1=CN=C(N=C1OC2=CC=C(C3=CC=CC=C32)Cl)NC4=CC=C(C=C4)C#N
InChI
InChI=1S/C22H15ClN4O/c1-14-13-25-22(26-16-8-6-15(12-24)7-9-16)27-21(14)28-20-11-10-19(23)17-4-2-3-5-18(17)20/h2-11,13H,1H3,(H,25,26,27)
InChIKey
UWFMJBSXBXLOAR-UHFFFAOYSA-N
Compound name
4-[[4-(4-chloronaphthalen-1-yl)oxy-5-methylpyrimidin-2-yl]amino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.09344 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10072 195.7
[M+Na]+ 409.08266 207.7
[M-H]- 385.08616 200.5
[M+NH4]+ 404.12726 204.1
[M+K]+ 425.05660 196.6
[M+H-H2O]+ 369.09070 178.1
[M+HCOO]- 431.09164 208.2
[M+CH3COO]- 445.10729 203.3
[M+Na-2H]- 407.06811 199.7
[M]+ 386.09289 193.1
[M]- 386.09399 193.1
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.