CID 3087466

Brn 5638830

Structural Information

Molecular Formula
C23H24N4O2
SMILES
CC1=NC2=C(C(=N1)NCCC3=CC(=C(C=C3)OC)OC)NC(=C2)C4=CC=CC=C4
InChI
InChI=1S/C23H24N4O2/c1-15-25-19-14-18(17-7-5-4-6-8-17)27-22(19)23(26-15)24-12-11-16-9-10-20(28-2)21(13-16)29-3/h4-10,13-14,27H,11-12H2,1-3H3,(H,24,25,26)
InChIKey
NEAVHCRPUFHCLY-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-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

388.1899 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19718 196.9
[M+Na]+ 411.17912 213.2
[M+NH4]+ 406.22372 203.7
[M+K]+ 427.15306 205.9
[M-H]- 387.18262 202.6
[M+Na-2H]- 409.16457 206.1
[M]+ 388.18935 201.0
[M]- 388.19045 201.0
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

No patent data available for this compound.