CID 439323

Streptidine dihydrochloride

Structural Information

Molecular Formula
C8H18N6O4
SMILES
[C@H]1([C@H](C([C@H]([C@@H](C1O)N=C(N)N)O)O)O)N=C(N)N
InChI
InChI=1S/C8H18N6O4/c9-7(10)13-1-3(15)2(14-8(11)12)5(17)6(18)4(1)16/h1-6,15-18H,(H4,9,10,13)(H4,11,12,14)/t1-,2+,3?,4+,5-,6?
InChIKey
MSXMXWJPFIDEMT-XGNJAFTASA-N
Compound name
2-[(1S,3R,4S,6R)-3-(diaminomethylideneamino)-2,4,5,6-tetrahydroxycyclohexyl]guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

40
References

289
Patents

262.13895 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14623 155.4
[M+Na]+ 285.12817 158.8
[M-H]- 261.13167 154.8
[M+NH4]+ 280.17277 168.0
[M+K]+ 301.10211 158.1
[M+H-H2O]+ 245.13621 148.2
[M+HCOO]- 307.13715 175.2
[M+CH3COO]- 321.15280 210.4
[M+Na-2H]- 283.11362 152.2
[M]+ 262.13840 143.5
[M]- 262.13950 143.5
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