CID 6437743

2,4-pyrimidinediamine, 5-((3,5-dimethoxy-4-(1-methylethenyl)phenyl)methyl)-

Structural Information

Molecular Formula
C16H20N4O2
SMILES
C/C=C/C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C16H20N4O2/c1-4-5-12-13(21-2)7-10(8-14(12)22-3)6-11-9-19-16(18)20-15(11)17/h4-5,7-9H,6H2,1-3H3,(H4,17,18,19,20)/b5-4+
InChIKey
PSKCHEIBWRESOR-SNAWJCMRSA-N
Compound name
5-[[3,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.15863 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.165906 173.7
[M+Na]+ 323.147848 182.6
[M-H]- 299.151354 177.7
[M+NH4]+ 318.192453 185.8
[M+K]+ 339.121788 177.6
[M+H-H2O]+ 283.155890 164.2
[M+HCOO]- 345.156831 196.1
[M+CH3COO]- 359.172481 210.9
[M+Na-2H]- 321.133296 175.9
[M]+ 300.15808142 175.1
[M]- 300.15917858 175.1
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

No patent data available for this compound.