CID 9589306

126956-10-3

Structural Information

Molecular Formula
C14H16N4OS
SMILES
CN1C=CC=C1/C=N/NC(=S)NC2=CC(=CC=C2)OC
InChI
InChI=1S/C14H16N4OS/c1-18-8-4-6-12(18)10-15-17-14(20)16-11-5-3-7-13(9-11)19-2/h3-10H,1-2H3,(H2,16,17,20)/b15-10+
InChIKey
UKBQEXKHRUOBOH-XNTDXEJSSA-N
Compound name
1-(3-methoxyphenyl)-3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11178 165.8
[M+Na]+ 311.09372 172.9
[M-H]- 287.09722 173.1
[M+NH4]+ 306.13832 182.5
[M+K]+ 327.06766 168.6
[M+H-H2O]+ 271.10176 157.2
[M+HCOO]- 333.10270 188.6
[M+CH3COO]- 347.11835 207.1
[M+Na-2H]- 309.07917 168.1
[M]+ 288.10395 168.2
[M]- 288.10505 168.2
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.