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

3
Patents

294.14807 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 172.7
[M+Na]+ 317.13729 181.8
[M-H]- 293.14079 176.5
[M+NH4]+ 312.18189 184.9
[M+K]+ 333.11123 174.7
[M+H-H2O]+ 277.14533 163.3
[M+HCOO]- 339.14627 194.9
[M+CH3COO]- 353.16192 210.9
[M+Na-2H]- 315.12274 174.3
[M]+ 294.14752 171.7
[M]- 294.14862 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