CID 378504

Nsc661104

Structural Information

Molecular Formula
C24H30N10O6S4
SMILES
CN(C)NC1=NS(=O)(=O)C2=C(S1)C=C3C(=C2)C(=O)N(C4=CC5=C(C=C4C(=O)N3N(C)C)S(=O)(=O)N=C(S5)NN(C)C)N(C)C
InChI
InChI=1S/C24H30N10O6S4/c1-29(2)25-23-27-43(37,38)19-9-13-15(11-17(19)41-23)33(31(5)6)22(36)14-10-20-18(12-16(14)34(21(13)35)32(7)8)42-24(26-30(3)4)28-44(20,39)40/h9-12H,1-8H3,(H,25,27)(H,26,28)
InChIKey
HRQMQKPWYYFITN-UHFFFAOYSA-N
Compound name
2,14-bis(dimethylamino)-9,21-bis(2,2-dimethylhydrazinyl)-7,7,19,19-tetraoxo-7lambda6,10,19lambda6,22-tetrathia-2,8,14,20-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6(11),8,12,16,18(23),20-octaene-3,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

682.1233 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 683.13058 212.4
[M+Na]+ 705.11252 215.0
[M-H]- 681.11602 211.8
[M+NH4]+ 700.15712 213.0
[M+K]+ 721.08646 213.5
[M+H-H2O]+ 665.12056 208.3
[M+HCOO]- 727.12150 209.4
[M+CH3COO]- 741.13715 211.0
[M+Na-2H]- 703.09797 268.4
[M]+ 682.12275 214.5
[M]- 682.12385 214.5
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

No patent data available for this compound.