CID 9568622

Nsc168433

Structural Information

Molecular Formula
C15H14N6
SMILES
CN(C)/C=N/C1=C(C(=NN1C2=CC=CC=C2)CC#N)C#N
InChI
InChI=1S/C15H14N6/c1-20(2)11-18-15-13(10-17)14(8-9-16)19-21(15)12-6-4-3-5-7-12/h3-7,11H,8H2,1-2H3/b18-11+
InChIKey
DPYQUWGGLAXABI-WOJGMQOQSA-N
Compound name
N'-[4-cyano-5-(cyanomethyl)-2-phenylpyrazol-3-yl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.128 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13528 171.0
[M+Na]+ 301.11722 179.5
[M-H]- 277.12072 174.0
[M+NH4]+ 296.16182 180.3
[M+K]+ 317.09116 175.5
[M+H-H2O]+ 261.12526 151.7
[M+HCOO]- 323.12620 184.1
[M+CH3COO]- 337.14185 232.8
[M+Na-2H]- 299.10267 171.0
[M]+ 278.12745 163.6
[M]- 278.12855 163.6
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.