CID 135311801

Mk-3402

Structural Information

Molecular Formula
C15H19N9O5S2
SMILES
C1=CC(=NC=C1C2=C(C(=C(C=C2)S(=O)(=O)NC[C@@H](CN)O)S(=O)(=O)N)C3=NNN=N3)N
InChI
InChI=1S/C15H19N9O5S2/c16-5-9(25)7-20-31(28,29)11-3-2-10(8-1-4-12(17)19-6-8)13(14(11)30(18,26)27)15-21-23-24-22-15/h1-4,6,9,20,25H,5,7,16H2,(H2,17,19)(H2,18,26,27)(H,21,22,23,24)/t9-/m1/s1
InChIKey
FPDSKARHYNDHLY-SECBINFHSA-N
Compound name
1-N-[(2R)-3-amino-2-hydroxypropyl]-4-(6-aminopyridin-3-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

469.09506 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.10234 193.3
[M+Na]+ 492.08428 198.3
[M+NH4]+ 487.12888 193.3
[M+K]+ 508.05822 198.1
[M-H]- 468.08778 192.8
[M+Na-2H]- 490.06973 197.2
[M]+ 469.09451 193.8
[M]- 469.09561 193.8
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