CID 90477061

70236-48-5

Structural Information

Molecular Formula
C21H23N5
SMILES
CC1C=C(N(N1C)C2=CC=CC=C2)N=NC3=C(N(C4=CC=CC=C43)C)C
InChI
InChI=1S/C21H23N5/c1-15-14-20(26(25(15)4)17-10-6-5-7-11-17)22-23-21-16(2)24(3)19-13-9-8-12-18(19)21/h5-15H,1-4H3
InChIKey
IOHJLLZNXJWDPY-UHFFFAOYSA-N
Compound name
(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.19534 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20262 185.0
[M+Na]+ 368.18456 195.9
[M-H]- 344.18806 196.1
[M+NH4]+ 363.22916 200.3
[M+K]+ 384.15850 189.9
[M+H-H2O]+ 328.19260 174.2
[M+HCOO]- 390.19354 210.9
[M+CH3COO]- 404.20919 197.2
[M+Na-2H]- 366.17001 186.3
[M]+ 345.19479 189.8
[M]- 345.19589 189.8
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.