CID 5884772

Nsc668329

Structural Information

Molecular Formula
C20H18N4OS
SMILES
COC1=CC=C(C=C1)NC(=S)N/N=C(/C2=CC=CC=C2)\C3=CC=CC=N3
InChI
InChI=1S/C20H18N4OS/c1-25-17-12-10-16(11-13-17)22-20(26)24-23-19(15-7-3-2-4-8-15)18-9-5-6-14-21-18/h2-14H,1H3,(H2,22,24,26)/b23-19-
InChIKey
RLZRXWZKBWZLGC-NMWGTECJSA-N
Compound name
1-(4-methoxyphenyl)-3-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.12012 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12740 183.7
[M+Na]+ 385.10934 188.2
[M-H]- 361.11284 192.7
[M+NH4]+ 380.15394 194.2
[M+K]+ 401.08328 182.1
[M+H-H2O]+ 345.11738 173.0
[M+HCOO]- 407.11832 204.0
[M+CH3COO]- 421.13397 193.0
[M+Na-2H]- 383.09479 188.2
[M]+ 362.11957 183.5
[M]- 362.12067 183.5
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.