CID 9574953

Schembl14198073

Structural Information

Molecular Formula
C19H15ClN4S
SMILES
C1=CC=C(C(=C1)/C=N/N=C(/C2=CC=CC=N2)\N)SC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15ClN4S/c20-15-8-10-16(11-9-15)25-18-7-2-1-5-14(18)13-23-24-19(21)17-6-3-4-12-22-17/h1-13H,(H2,21,24)/b23-13+
InChIKey
ZEZBGPXDHDSAHE-YDZHTSKRSA-N
Compound name
N'-[(E)-[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

366.0706 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07788 184.4
[M+Na]+ 389.05982 192.0
[M-H]- 365.06332 194.5
[M+NH4]+ 384.10442 196.6
[M+K]+ 405.03376 183.9
[M+H-H2O]+ 349.06786 174.4
[M+HCOO]- 411.06880 202.2
[M+CH3COO]- 425.08445 194.7
[M+Na-2H]- 387.04527 188.3
[M]+ 366.07005 186.9
[M]- 366.07115 186.9
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.