CID 469885

Chembl115858

Structural Information

Molecular Formula
C10H10N6
SMILES
C=CCN1C(=C(C2=C(N=CN=C21)N)C#N)N
InChI
InChI=1S/C10H10N6/c1-2-3-16-9(13)6(4-11)7-8(12)14-5-15-10(7)16/h2,5H,1,3,13H2,(H2,12,14,15)
InChIKey
OLIFICIACGQWMX-UHFFFAOYSA-N
Compound name
4,6-diamino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.0967 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10398 148.6
[M+Na]+ 237.08592 160.8
[M-H]- 213.08942 148.1
[M+NH4]+ 232.13052 163.4
[M+K]+ 253.05986 155.6
[M+H-H2O]+ 197.09396 133.5
[M+HCOO]- 259.09490 167.5
[M+CH3COO]- 273.11055 159.2
[M+Na-2H]- 235.07137 152.8
[M]+ 214.09615 143.1
[M]- 214.09725 143.1
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.