CID 3046498

Brn 0663923

Structural Information

Molecular Formula
C13H13ClN4O
SMILES
CN(C)C=NC1=NN(C(=C1C=O)Cl)C2=CC=CC=C2
InChI
InChI=1S/C13H13ClN4O/c1-17(2)9-15-13-11(8-19)12(14)18(16-13)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKey
NBIMVXABGTVKSG-UHFFFAOYSA-N
Compound name
N'-(5-chloro-4-formyl-1-phenylpyrazol-3-yl)-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0778 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08508 161.0
[M+Na]+ 299.06702 174.4
[M+NH4]+ 294.11162 168.5
[M+K]+ 315.04096 168.8
[M-H]- 275.07052 164.9
[M+Na-2H]- 297.05247 169.1
[M]+ 276.07725 164.1
[M]- 276.07835 164.1
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.