CID 16076982

915312-53-7

Structural Information

Molecular Formula
C19H19N5
SMILES
CC(CC1=CNC2=NC(=NC(=C12)N)N)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C19H19N5/c1-11(13-7-6-12-4-2-3-5-14(12)9-13)8-15-10-22-18-16(15)17(20)23-19(21)24-18/h2-7,9-11H,8H2,1H3,(H5,20,21,22,23,24)
InChIKey
OQJBKRAEBQDCAS-UHFFFAOYSA-N
Compound name
5-(2-naphthalen-2-ylpropyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.16403 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17131 175.0
[M+Na]+ 340.15325 184.4
[M-H]- 316.15675 178.5
[M+NH4]+ 335.19785 187.7
[M+K]+ 356.12719 176.3
[M+H-H2O]+ 300.16129 165.5
[M+HCOO]- 362.16223 193.7
[M+CH3COO]- 376.17788 184.9
[M+Na-2H]- 338.13870 179.7
[M]+ 317.16348 173.3
[M]- 317.16458 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.