CID 479101

Schembl9161460

Structural Information

Molecular Formula
C20H30N4O6
SMILES
COCCOCCOCCOC1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C20H30N4O6/c1-25-4-5-28-6-7-29-8-9-30-18-16(26-2)11-14(12-17(18)27-3)10-15-13-23-20(22)24-19(15)21/h11-13H,4-10H2,1-3H3,(H4,21,22,23,24)
InChIKey
PAVSQZUNFQWLMG-UHFFFAOYSA-N
Compound name
5-[[3,5-dimethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

422.21652 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.22380 200.3
[M+Na]+ 445.20574 205.8
[M-H]- 421.20924 203.2
[M+NH4]+ 440.25034 206.7
[M+K]+ 461.17968 203.6
[M+H-H2O]+ 405.21378 188.6
[M+HCOO]- 467.21472 221.7
[M+CH3COO]- 481.23037 233.0
[M+Na-2H]- 443.19119 201.1
[M]+ 422.21597 209.3
[M]- 422.21707 209.3
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.