CID 161637

29508-48-3

Structural Information

Molecular Formula
C20H21N5
SMILES
CC1C=C(N(N1C)C2=CC=CC=C2)N=NC3=C(NC4=CC=CC=C43)C
InChI
InChI=1S/C20H21N5/c1-14-13-19(25(24(14)3)16-9-5-4-6-10-16)22-23-20-15(2)21-18-12-8-7-11-17(18)20/h4-14,21H,1-3H3
InChIKey
XJUJIYDKQZUKFL-UHFFFAOYSA-N
Compound name
(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-(2-methyl-1H-indol-3-yl)diazene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

331.1797 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18698 179.8
[M+Na]+ 354.16892 194.6
[M+NH4]+ 349.21352 187.9
[M+K]+ 370.14286 189.6
[M-H]- 330.17242 186.4
[M+Na-2H]- 352.15437 189.1
[M]+ 331.17915 183.8
[M]- 331.18025 183.8
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.