CID 199053

(e)-3,5-dimethyl-4-(phenyldiazenyl)-1h-pyrazole

Structural Information

Molecular Formula
C11H12N4
SMILES
CC1=C(C(=NN1)C)N=NC2=CC=CC=C2
InChI
InChI=1S/C11H12N4/c1-8-11(9(2)13-12-8)15-14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)
InChIKey
SUJFLVSMVSJQDE-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-1H-pyrazol-4-yl)-phenyldiazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

200.1062 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11348 142.5
[M+Na]+ 223.09542 151.4
[M-H]- 199.09892 148.6
[M+NH4]+ 218.14002 161.1
[M+K]+ 239.06936 148.2
[M+H-H2O]+ 183.10346 133.7
[M+HCOO]- 245.10440 169.9
[M+CH3COO]- 259.12005 191.3
[M+Na-2H]- 221.08087 149.7
[M]+ 200.10565 142.9
[M]- 200.10675 142.9
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

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