CID 3078739

Brn 4599540

Structural Information

Molecular Formula
C24H22N6OS
SMILES
CC1=CC=CC=C1N=NC(=NC2=CC=C(C=C2)C3=NNC(=S)O3)C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C24H22N6OS/c1-16-6-4-5-7-21(16)26-27-22(17-10-14-20(15-11-17)30(2)3)25-19-12-8-18(9-13-19)23-28-29-24(32)31-23/h4-15H,1-3H3,(H,29,32)
InChIKey
ZXOGPPBRFPGXAT-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-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

442.1576 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.16488 205.6
[M+Na]+ 465.14682 219.6
[M+NH4]+ 460.19142 212.4
[M+K]+ 481.12076 211.2
[M-H]- 441.15032 216.8
[M+Na-2H]- 463.13227 217.3
[M]+ 442.15705 211.2
[M]- 442.15815 211.2
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.