CID 19370615

1193434-63-7

Structural Information

Molecular Formula
C20H33N7O2S4
SMILES
CN(C)CC1=NC(=CS1)CSCCNC(=C[N+](=O)[O-])NCCSCC2=CSC(=N2)CN(C)C
InChI
InChI=1S/C20H33N7O2S4/c1-25(2)10-19-23-16(14-32-19)12-30-7-5-21-18(9-27(28)29)22-6-8-31-13-17-15-33-20(24-17)11-26(3)4/h9,14-15,21-22H,5-8,10-13H2,1-4H3
InChIKey
FLMTYSSUPPMJNR-UHFFFAOYSA-N
Compound name
1-N,1-N'-bis[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

531.15784 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.16512 202.3
[M+Na]+ 554.14706 205.4
[M+NH4]+ 549.19166 206.8
[M+K]+ 570.12100 200.3
[M-H]- 530.15056 206.2
[M+Na-2H]- 552.13251 205.0
[M]+ 531.15729 204.7
[M]- 531.15839 204.7
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