CID 199054

3656-06-2

Structural Information

Molecular Formula
C12H14N4
SMILES
CC1=CC=C(C=C1)N=NC2=C(NN=C2C)C
InChI
InChI=1S/C12H14N4/c1-8-4-6-11(7-5-8)15-16-12-9(2)13-14-10(12)3/h4-7H,1-3H3,(H,13,14)
InChIKey
UDGHOTLHRKJELE-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-1H-pyrazol-4-yl)-(4-methylphenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

214.12184 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12912 147.5
[M+Na]+ 237.11106 156.8
[M-H]- 213.11456 153.8
[M+NH4]+ 232.15566 165.9
[M+K]+ 253.08500 153.4
[M+H-H2O]+ 197.11910 138.7
[M+HCOO]- 259.12004 174.5
[M+CH3COO]- 273.13569 195.5
[M+Na-2H]- 235.09651 153.3
[M]+ 214.12129 148.6
[M]- 214.12239 148.6
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

patents stripe