CID 3055247

72148-12-0

Structural Information

Molecular Formula
C22H34N6O2S2
SMILES
CN(C)CC1=CC=C(O1)CSCCNC(=NCCSCC2=CC=C(O2)CN(C)C)NC#N
InChI
InChI=1S/C22H34N6O2S2/c1-27(2)13-18-5-7-20(29-18)15-31-11-9-24-22(26-17-23)25-10-12-32-16-21-8-6-19(30-21)14-28(3)4/h5-8H,9-16H2,1-4H3,(H2,24,25,26)
InChIKey
LPWXASFIPNYFQP-UHFFFAOYSA-N
Compound name
1-cyano-2,3-bis[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

478.21848 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.22576 211.2
[M+Na]+ 501.20770 215.6
[M+NH4]+ 496.25230 213.0
[M+K]+ 517.18164 207.3
[M-H]- 477.21120 210.5
[M+Na-2H]- 499.19315 211.4
[M]+ 478.21793 211.2
[M]- 478.21903 211.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe