CID 3078771

5-(4-((((2-methylphenyl)azo)phenylmethylene)amino)phenyl)-1,3,4-oxadiazole-2(3h)-thione

Structural Information

Molecular Formula
C22H17N5OS
SMILES
CC1=CC=CC=C1N=NC(=NC2=CC=C(C=C2)C3=NNC(=S)O3)C4=CC=CC=C4
InChI
InChI=1S/C22H17N5OS/c1-15-7-5-6-10-19(15)24-25-20(16-8-3-2-4-9-16)23-18-13-11-17(12-14-18)21-26-27-22(29)28-21/h2-14H,1H3,(H,27,29)
InChIKey
CFLLHWVTSRBSJH-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)imino-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1154 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.12268 196.3
[M+Na]+ 422.10462 204.8
[M-H]- 398.10812 210.4
[M+NH4]+ 417.14922 205.7
[M+K]+ 438.07856 198.4
[M+H-H2O]+ 382.11266 185.0
[M+HCOO]- 444.11360 218.8
[M+CH3COO]- 458.12925 206.8
[M+Na-2H]- 420.09007 199.6
[M]+ 399.11485 198.8
[M]- 399.11595 198.8
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.