CID 3087469

114685-14-2

Structural Information

Molecular Formula
C17H18N4O
SMILES
CC1=NC2=C(C(=N1)N3CCOCC3)NC(=C2)C4=CC=CC=C4
InChI
InChI=1S/C17H18N4O/c1-12-18-15-11-14(13-5-3-2-4-6-13)20-16(15)17(19-12)21-7-9-22-10-8-21/h2-6,11,20H,7-10H2,1H3
InChIKey
NKXMCMLNRMDHQV-UHFFFAOYSA-N
Compound name
4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

294.14807 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 169.6
[M+Na]+ 317.13729 185.6
[M+NH4]+ 312.18189 177.3
[M+K]+ 333.11123 179.7
[M-H]- 293.14079 175.4
[M+Na-2H]- 315.12274 178.0
[M]+ 294.14752 173.6
[M]- 294.14862 173.6
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

patents stripe