CID 3055214

72126-78-4

Structural Information

Molecular Formula
C22H35N5O4S2
SMILES
CN(C)CC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NCCSCC2=CC=C(O2)CN(C)C
InChI
InChI=1S/C22H35N5O4S2/c1-25(2)13-18-5-7-20(30-18)16-32-11-9-23-22(15-27(28)29)24-10-12-33-17-21-8-6-19(31-21)14-26(3)4/h5-8,15,23-24H,9-14,16-17H2,1-4H3
InChIKey
VTVSRHZKBPARSF-UHFFFAOYSA-N
Compound name
1-N,1-N'-bis[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

497.21304 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.22032 218.4
[M+Na]+ 520.20226 222.6
[M+NH4]+ 515.24686 222.5
[M+K]+ 536.17620 220.5
[M-H]- 496.20576 225.2
[M+Na-2H]- 518.18771 219.9
[M]+ 497.21249 221.2
[M]- 497.21359 221.2
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