CID 5271418

2,4-pyrimidinediamine, 5-[[2-methoxy-5-[(1z)-3-[2-(1-methylethenyl)phenoxy]-1-propenyl]phenyl]methyl]-

Structural Information

Molecular Formula
C24H26N4O2
SMILES
CC(=C)C1=CC=CC=C1OC/C=C\C2=CC(=C(C=C2)OC)CC3=CN=C(N=C3N)N
InChI
InChI=1S/C24H26N4O2/c1-16(2)20-8-4-5-9-22(20)30-12-6-7-17-10-11-21(29-3)18(13-17)14-19-15-27-24(26)28-23(19)25/h4-11,13,15H,1,12,14H2,2-3H3,(H4,25,26,27,28)/b7-6-
InChIKey
LCBCZHPJEGZRIZ-SREVYHEPSA-N
Compound name
5-[[2-methoxy-5-[(Z)-3-(2-prop-1-en-2-ylphenoxy)prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.20557 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.21285 202.8
[M+Na]+ 425.19479 209.2
[M-H]- 401.19829 209.0
[M+NH4]+ 420.23939 209.8
[M+K]+ 441.16873 201.9
[M+H-H2O]+ 385.20283 191.0
[M+HCOO]- 447.20377 222.8
[M+CH3COO]- 461.21942 230.9
[M+Na-2H]- 423.18024 202.4
[M]+ 402.20502 202.9
[M]- 402.20612 202.9
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.