CID 30188

Brn 2191477

Structural Information

Molecular Formula
C16H20N10OS
SMILES
C1=CC(=CC=C1N=C(N)N=C(N)N)S(=O)C2=CC=C(C=C2)N=C(N)N=C(N)N
InChI
InChI=1S/C16H20N10OS/c17-13(18)25-15(21)23-9-1-5-11(6-2-9)28(27)12-7-3-10(4-8-12)24-16(22)26-14(19)20/h1-8H,(H6,17,18,21,23,25)(H6,19,20,22,24,26)
InChIKey
IJAWTDQVPNDEKB-UHFFFAOYSA-N
Compound name
2-[4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]sulfinylphenyl]-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.15424 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16152 188.4
[M+Na]+ 423.14346 189.5
[M-H]- 399.14696 196.6
[M+NH4]+ 418.18806 196.9
[M+K]+ 439.11740 187.9
[M+H-H2O]+ 383.15150 176.6
[M+HCOO]- 445.15244 213.6
[M+CH3COO]- 459.16809 251.7
[M+Na-2H]- 421.12891 188.2
[M]+ 400.15369 180.2
[M]- 400.15479 180.2
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

No patent data available for this compound.