CID 479083

Schembl9159378

Structural Information

Molecular Formula
C18H24N4O2
SMILES
CCOC1=CC(=CC(=C1C(=C)C)OCC)CC2=CN=C(N=C2N)N
InChI
InChI=1S/C18H24N4O2/c1-5-23-14-8-12(7-13-10-21-18(20)22-17(13)19)9-15(24-6-2)16(14)11(3)4/h8-10H,3,5-7H2,1-2,4H3,(H4,19,20,21,22)
InChIKey
ZFVAFHCVHOZEBX-UHFFFAOYSA-N
Compound name
5-[(3,5-diethoxy-4-prop-1-en-2-ylphenyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

328.1899 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19718 182.5
[M+Na]+ 351.17912 190.1
[M-H]- 327.18262 186.1
[M+NH4]+ 346.22372 193.3
[M+K]+ 367.15306 185.3
[M+H-H2O]+ 311.18716 172.7
[M+HCOO]- 373.18810 203.2
[M+CH3COO]- 387.20375 218.5
[M+Na-2H]- 349.16457 182.4
[M]+ 328.18935 184.1
[M]- 328.19045 184.1
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