CID 15954205

N-[(e)-1-[4-(phenylcarbamothioylamino)phenyl]ethylideneamino]pyridine-4-carboxamide

Structural Information

Molecular Formula
C21H19N5OS
SMILES
C/C(=N\NC(=O)C1=CC=NC=C1)/C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3
InChI
InChI=1S/C21H19N5OS/c1-15(25-26-20(27)17-11-13-22-14-12-17)16-7-9-19(10-8-16)24-21(28)23-18-5-3-2-4-6-18/h2-14H,1H3,(H,26,27)(H2,23,24,28)/b25-15+
InChIKey
ZMMIHRONVIWHII-MFKUBSTISA-N
Compound name
N-[(E)-1-[4-(phenylcarbamothioylamino)phenyl]ethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.13104 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13832 190.3
[M+Na]+ 412.12026 193.5
[M-H]- 388.12376 199.1
[M+NH4]+ 407.16486 199.2
[M+K]+ 428.09420 187.3
[M+H-H2O]+ 372.12830 179.4
[M+HCOO]- 434.12924 210.4
[M+CH3COO]- 448.14489 228.5
[M+Na-2H]- 410.10571 194.3
[M]+ 389.13049 188.6
[M]- 389.13159 188.6
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

No patent data available for this compound.