CID 3087465

114685-09-5

Structural Information

Molecular Formula
C20H18N4O
SMILES
CC1=NC2=C(C(=N1)NC3=CC=C(C=C3)OC)NC(=C2)C4=CC=CC=C4
InChI
InChI=1S/C20H18N4O/c1-13-21-18-12-17(14-6-4-3-5-7-14)24-19(18)20(22-13)23-15-8-10-16(25-2)11-9-15/h3-12,24H,1-2H3,(H,21,22,23)
InChIKey
XYGYZKHRAXHVKB-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.14807 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15535 178.0
[M+Na]+ 353.13729 187.8
[M-H]- 329.14079 184.5
[M+NH4]+ 348.18189 189.5
[M+K]+ 369.11123 180.1
[M+H-H2O]+ 313.14533 167.2
[M+HCOO]- 375.14627 199.1
[M+CH3COO]- 389.16192 188.6
[M+Na-2H]- 351.12274 183.7
[M]+ 330.14752 179.4
[M]- 330.14862 179.4
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.