CID 90688312

Chebi:169704

Structural Information

Molecular Formula
C15H13N5
SMILES
CCNC1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N
InChI
InChI=1S/C15H13N5/c1-2-17-13-5-3-4-11(8-13)14-6-7-18-15-12(9-16)10-19-20(14)15/h3-8,10,17H,2H2,1H3
InChIKey
QIBDHPGCTQWVTR-UHFFFAOYSA-N
Compound name
7-[3-(ethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.1171 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12438 161.2
[M+Na]+ 286.10632 172.9
[M-H]- 262.10982 163.1
[M+NH4]+ 281.15092 174.2
[M+K]+ 302.08026 165.4
[M+H-H2O]+ 246.11436 144.3
[M+HCOO]- 308.11530 179.7
[M+CH3COO]- 322.13095 171.1
[M+Na-2H]- 284.09177 167.0
[M]+ 263.11655 157.4
[M]- 263.11765 157.4
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.