CID 91885440

1507370-40-2

Structural Information

Molecular Formula
C22H22N4S2
SMILES
C1=CC(=CC=C1CNCCNCC2=CC=C(C=C2)C3=NC=CS3)C4=NC=CS4
InChI
InChI=1S/C22H22N4S2/c1-5-19(21-25-11-13-27-21)6-2-17(1)15-23-9-10-24-16-18-3-7-20(8-4-18)22-26-12-14-28-22/h1-8,11-14,23-24H,9-10,15-16H2
InChIKey
FRTSLZJCGAFSET-UHFFFAOYSA-N
Compound name
N,N'-bis[[4-(1,3-thiazol-2-yl)phenyl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

406.1286 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.13588 189.1
[M+Na]+ 429.11782 198.3
[M-H]- 405.12132 200.1
[M+NH4]+ 424.16242 201.4
[M+K]+ 445.09176 189.6
[M+H-H2O]+ 389.12586 180.6
[M+HCOO]- 451.12680 206.5
[M+CH3COO]- 465.14245 199.4
[M+Na-2H]- 427.10327 189.6
[M]+ 406.12805 193.3
[M]- 406.12915 193.3
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

patents stripe