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 162.4
[M+Na]+ 299.06702 172.2
[M-H]- 275.07052 169.7
[M+NH4]+ 294.11162 179.5
[M+K]+ 315.04096 168.1
[M+H-H2O]+ 259.07506 153.4
[M+HCOO]- 321.07600 185.2
[M+CH3COO]- 335.09165 206.8
[M+Na-2H]- 297.05247 166.3
[M]+ 276.07725 167.7
[M]- 276.07835 167.7
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.