CID 135479891

Schembl7162988

Structural Information

Molecular Formula
C14H14N4O
SMILES
C1=CC=C(C=C1)CCC2=CC3=C(N2)N=C(NC3=O)N
InChI
InChI=1S/C14H14N4O/c15-14-17-12-11(13(19)18-14)8-10(16-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H4,15,16,17,18,19)
InChIKey
RQICCFDBNYNJBM-UHFFFAOYSA-N
Compound name
2-amino-6-(2-phenylethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.11676 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12404 156.5
[M+Na]+ 277.10598 166.8
[M-H]- 253.10948 158.2
[M+NH4]+ 272.15058 170.6
[M+K]+ 293.07992 159.3
[M+H-H2O]+ 237.11402 147.8
[M+HCOO]- 299.11496 176.7
[M+CH3COO]- 313.13061 167.7
[M+Na-2H]- 275.09143 162.4
[M]+ 254.11621 154.8
[M]- 254.11731 154.8
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