CID 15954207

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

Structural Information

Molecular Formula
C22H21N5OS
SMILES
CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)/C(=N/NC(=O)C3=CC=NC=C3)/C
InChI
InChI=1S/C22H21N5OS/c1-15-3-7-19(8-4-15)24-22(29)25-20-9-5-17(6-10-20)16(2)26-27-21(28)18-11-13-23-14-12-18/h3-14H,1-2H3,(H,27,28)(H2,24,25,29)/b26-16+
InChIKey
QLKZGBKVEJQHRW-WGOQTCKBSA-N
Compound name
N-[(E)-1-[4-[(4-methylphenyl)carbamothioylamino]phenyl]ethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.14667 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.15395 195.7
[M+Na]+ 426.13589 199.2
[M-H]- 402.13939 204.6
[M+NH4]+ 421.18049 204.3
[M+K]+ 442.10983 192.9
[M+H-H2O]+ 386.14393 184.6
[M+HCOO]- 448.14487 215.4
[M+CH3COO]- 462.16052 232.6
[M+Na-2H]- 424.12134 198.3
[M]+ 403.14612 194.6
[M]- 403.14722 194.6
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.