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

literature stripe

Patent stripe

patents stripe