CID 161637

Dtxsid30904365

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 179.4
[M+Na]+ 354.16892 189.4
[M-H]- 330.17242 189.0
[M+NH4]+ 349.21352 194.3
[M+K]+ 370.14286 182.9
[M+H-H2O]+ 314.17696 168.9
[M+HCOO]- 376.17790 204.2
[M+CH3COO]- 390.19355 191.1
[M+Na-2H]- 352.15437 181.7
[M]+ 331.17915 181.8
[M]- 331.18025 181.8
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.