CID 6476967

4-amino-7-[(e)-cinnamyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C16H13N5
SMILES
C1=CC=C(C=C1)/C=C/CN2C=C(C3=C(N=CN=C32)N)C#N
InChI
InChI=1S/C16H13N5/c17-9-13-10-21(16-14(13)15(18)19-11-20-16)8-4-7-12-5-2-1-3-6-12/h1-7,10-11H,8H2,(H2,18,19,20)/b7-4+
InChIKey
JEUBBZGHJVPGQZ-QPJJXVBHSA-N
Compound name
4-amino-7-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1171 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12438 166.7
[M+Na]+ 298.10632 178.3
[M-H]- 274.10982 168.1
[M+NH4]+ 293.15092 179.0
[M+K]+ 314.08026 169.8
[M+H-H2O]+ 258.11436 149.8
[M+HCOO]- 320.11530 184.6
[M+CH3COO]- 334.13095 176.0
[M+Na-2H]- 296.09177 170.9
[M]+ 275.11655 161.7
[M]- 275.11765 161.7
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.