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: 4
Patents: 315.1484 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	316.155676	172.9
[M+Na]+	338.137618	183.5
[M-H]-	314.141124	182.7
[M+NH4]+	333.182223	188.3
[M+K]+	354.111558	177.0
[M+H-H2O]+	298.145660	162.4
[M+HCOO]-	360.146601	199.5
[M+CH3COO]-	374.162251	185.4
[M+Na-2H]-	336.123066	177.6
[M]+	315.14785142	176.0
[M]-	315.14894858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe