CID 30189

20567-00-4

Structural Information

Molecular Formula
C14H14N6O2S
SMILES
C1=CC(=CC=C1N=C(N)N=C(N)N)SC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H14N6O2S/c15-13(16)19-14(17)18-9-1-5-11(6-2-9)23-12-7-3-10(4-8-12)20(21)22/h1-8H,(H6,15,16,17,18,19)
InChIKey
YJLCCMGIGCFTKQ-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-[4-(4-nitrophenyl)sulfanylphenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0899 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09718 168.4
[M+Na]+ 353.07912 176.8
[M+NH4]+ 348.12372 174.7
[M+K]+ 369.05306 173.0
[M-H]- 329.08262 175.6
[M+Na-2H]- 351.06457 175.6
[M]+ 330.08935 171.4
[M]- 330.09045 171.4
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.