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

17
Patents

570.1795 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.18678 215.9
[M+Na]+ 593.16872 213.5
[M-H]- 569.17222 210.2
[M+NH4]+ 588.21332 215.5
[M+K]+ 609.14266 201.0
[M+H-H2O]+ 553.17676 206.2
[M+HCOO]- 615.17770 195.6
[M+CH3COO]- 629.19335 263.1
[M+Na-2H]- 591.15417 215.2
[M]+ 570.17895 210.5
[M]- 570.18005 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