CID 3033261

Usaf mk-82

Structural Information

Molecular Formula
C40H32N2S2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=S)C(=S)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C40H32N2S2/c43-37(41-39(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)38(44)42-40(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H,(H,41,43)(H,42,44)
InChIKey
OWISUWPODCMPJD-UHFFFAOYSA-N
Compound name
N,N'-ditritylethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.2007 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.20798 236.6
[M+Na]+ 627.18992 253.0
[M+NH4]+ 622.23452 245.2
[M+K]+ 643.16386 237.7
[M-H]- 603.19342 250.4
[M+Na-2H]- 625.17537 255.0
[M]+ 604.20015 244.3
[M]- 604.20125 244.3
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

No patent data available for this compound.