CID 6437743

Brn 4265998

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]+ 301.16591 173.7
[M+Na]+ 323.14785 182.6
[M-H]- 299.15135 177.7
[M+NH4]+ 318.19245 185.8
[M+K]+ 339.12179 177.6
[M+H-H2O]+ 283.15589 164.2
[M+HCOO]- 345.15683 196.1
[M+CH3COO]- 359.17248 210.9
[M+Na-2H]- 321.13330 175.9
[M]+ 300.15808 175.1
[M]- 300.15918 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.