CID 479080

Schembl9250557

Structural Information

Molecular Formula
C17H18N4O
SMILES
C=CC1=CC(=CC(=C1OC=C)C=C)CC2=CN=C(N=C2N)N
InChI
InChI=1S/C17H18N4O/c1-4-12-7-11(8-13(5-2)15(12)22-6-3)9-14-10-20-17(19)21-16(14)18/h4-8,10H,1-3,9H2,(H4,18,19,20,21)
InChIKey
YXYASTKHLDZXHB-UHFFFAOYSA-N
Compound name
5-[[4-ethenoxy-3,5-bis(ethenyl)phenyl]methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

294.14807 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.155346 172.7
[M+Na]+ 317.137288 181.8
[M-H]- 293.140794 176.5
[M+NH4]+ 312.181893 184.9
[M+K]+ 333.111228 174.7
[M+H-H2O]+ 277.145330 163.3
[M+HCOO]- 339.146271 194.9
[M+CH3COO]- 353.161921 210.9
[M+Na-2H]- 315.122736 174.3
[M]+ 294.14752142 171.7
[M]- 294.14861858 171.7
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

patents stripe