CID 116926

70892-84-1

Structural Information

Molecular Formula
C19H17N5
SMILES
CC1=NN(C(=C1)N=NC2=C(NC3=CC=CC=C32)C)C4=CC=CC=C4
InChI
InChI=1S/C19H17N5/c1-13-12-18(24(23-13)15-8-4-3-5-9-15)21-22-19-14(2)20-17-11-7-6-10-16(17)19/h3-12,20H,1-2H3
InChIKey
AWRNNIGAJXBTSG-UHFFFAOYSA-N
Compound name
(2-methyl-1H-indol-3-yl)-(5-methyl-2-phenylpyrazol-3-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

315.1484 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15568 172.9
[M+Na]+ 338.13762 183.5
[M-H]- 314.14112 182.7
[M+NH4]+ 333.18222 188.3
[M+K]+ 354.11156 177.0
[M+H-H2O]+ 298.14566 162.4
[M+HCOO]- 360.14660 199.5
[M+CH3COO]- 374.16225 185.4
[M+Na-2H]- 336.12307 177.6
[M]+ 315.14785 176.0
[M]- 315.14895 176.0
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

patents stripe