CID 493728

Schembl7701691

Structural Information

Molecular Formula
C15H13N5
SMILES
CC(C1=CC=CC=C1)N2C=C(C3=C(N=CN=C32)N)C#N
InChI
InChI=1S/C15H13N5/c1-10(11-5-3-2-4-6-11)20-8-12(7-16)13-14(17)18-9-19-15(13)20/h2-6,8-10H,1H3,(H2,17,18,19)
InChIKey
ZUCHDLCOQGJQKV-UHFFFAOYSA-N
Compound name
4-amino-7-(1-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.1171 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12438 163.4
[M+Na]+ 286.10632 174.8
[M-H]- 262.10982 165.0
[M+NH4]+ 281.15092 176.1
[M+K]+ 302.08026 167.5
[M+H-H2O]+ 246.11436 146.8
[M+HCOO]- 308.11530 180.5
[M+CH3COO]- 322.13095 172.9
[M+Na-2H]- 284.09177 167.1
[M]+ 263.11655 158.2
[M]- 263.11765 158.2
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