CID 9591311

2-thienyl-n,n-bis(2-thienylmethylene)methanediamine

Structural Information

Molecular Formula
C15H12N2S3
SMILES
C1=CSC(=C1)/C=N/C(/N=C/C2=CC=CS2)C3=CC=CS3
InChI
InChI=1S/C15H12N2S3/c1-4-12(18-7-1)10-16-15(14-6-3-9-20-14)17-11-13-5-2-8-19-13/h1-11,15H/b16-10+,17-11+
InChIKey
JFBOACJJWSHXAS-OTYYAQKOSA-N
Compound name
(E)-1-thiophen-2-yl-N-[thiophen-2-yl-[(E)-thiophen-2-ylmethylideneamino]methyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

316.01627 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.02355 176.7
[M+Na]+ 339.00549 188.2
[M-H]- 315.00899 190.0
[M+NH4]+ 334.05009 198.4
[M+K]+ 354.97943 182.5
[M+H-H2O]+ 299.01353 171.2
[M+HCOO]- 361.01447 194.2
[M+CH3COO]- 375.03012 189.8
[M+Na-2H]- 336.99094 174.9
[M]+ 316.01572 182.0
[M]- 316.01682 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.