CID 5279631

Schembl10417080

Structural Information

Molecular Formula
C20H22N4O
SMILES
CCCOC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN=C(N=C3N)N
InChI
InChI=1S/C20H22N4O/c1-2-12-25-16-10-8-15(9-11-16)18(14-6-4-3-5-7-14)17-13-23-20(22)24-19(17)21/h3-11,13,18H,2,12H2,1H3,(H4,21,22,23,24)
InChIKey
GFIIVORGRISULQ-UHFFFAOYSA-N
Compound name
5-[phenyl-(4-propoxyphenyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

334.17935 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18663 181.9
[M+Na]+ 357.16857 187.8
[M-H]- 333.17207 187.9
[M+NH4]+ 352.21317 191.3
[M+K]+ 373.14251 181.7
[M+H-H2O]+ 317.17661 170.6
[M+HCOO]- 379.17755 202.8
[M+CH3COO]- 393.19320 191.0
[M+Na-2H]- 355.15402 185.2
[M]+ 334.17880 180.0
[M]- 334.17990 180.0
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