CID 41525

Brn 0762297

Structural Information

Molecular Formula
C15H20N4O3
SMILES
CC(C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC)O
InChI
InChI=1S/C15H20N4O3/c1-8(20)13-11(21-2)5-9(6-12(13)22-3)4-10-7-18-15(17)19-14(10)16/h5-8,20H,4H2,1-3H3,(H4,16,17,18,19)
InChIKey
BUBSKBKPEADZAE-UHFFFAOYSA-N
Compound name
1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.15353 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16081 173.2
[M+Na]+ 327.14275 181.2
[M-H]- 303.14625 176.0
[M+NH4]+ 322.18735 184.3
[M+K]+ 343.11669 177.5
[M+H-H2O]+ 287.15079 164.0
[M+HCOO]- 349.15173 193.4
[M+CH3COO]- 363.16738 210.3
[M+Na-2H]- 325.12820 174.3
[M]+ 304.15298 174.0
[M]- 304.15408 174.0
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