CID 163514

2-propanesulfenamide, n,n',n''-1,3,5-triazine-2,4,6-triyltris[n-[(1-methylethyl)thio]-

Structural Information

Molecular Formula
C21H42N6S6
SMILES
CC(C)SN(C1=NC(=NC(=N1)N(SC(C)C)SC(C)C)N(SC(C)C)SC(C)C)SC(C)C
InChI
InChI=1S/C21H42N6S6/c1-13(2)28-25(29-14(3)4)19-22-20(26(30-15(5)6)31-16(7)8)24-21(23-19)27(32-17(9)10)33-18(11)12/h13-18H,1-12H3
InChIKey
AAVCLNAEMBVMFZ-UHFFFAOYSA-N
Compound name
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(propan-2-ylsulfanyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

570.1795 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.186776 215.9
[M+Na]+ 593.168718 213.5
[M-H]- 569.172224 210.2
[M+NH4]+ 588.213323 215.5
[M+K]+ 609.142658 201.0
[M+H-H2O]+ 553.176760 206.2
[M+HCOO]- 615.177701 195.6
[M+CH3COO]- 629.193351 263.1
[M+Na-2H]- 591.154166 215.2
[M]+ 570.17895142 210.5
[M]- 570.18004858 210.5
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