CID 108753

55687-58-6

Structural Information

Molecular Formula
C14H15N5O2
SMILES
COC1=CC(=CC(=C1C#N)OC)CC2=CN=C(N=C2N)N
InChI
InChI=1S/C14H15N5O2/c1-20-11-4-8(5-12(21-2)10(11)6-15)3-9-7-18-14(17)19-13(9)16/h4-5,7H,3H2,1-2H3,(H4,16,17,18,19)
InChIKey
NVINOPOHEGEHMH-UHFFFAOYSA-N
Compound name
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.1226 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12988 168.3
[M+Na]+ 308.11182 180.3
[M+NH4]+ 303.15642 170.9
[M+K]+ 324.08576 171.5
[M-H]- 284.11532 164.2
[M+Na-2H]- 306.09727 172.0
[M]+ 285.12205 167.9
[M]- 285.12315 167.9
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