CID 6481967

1-(3-hydroxyphenyl)-3-[4-(3-propoxy-1,2,4-triazol-1-yl)phenyl]thiourea

Structural Information

Molecular Formula
C18H19N5O2S
SMILES
CCCOC1=NN(C=N1)C2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)O
InChI
InChI=1S/C18H19N5O2S/c1-2-10-25-17-19-12-23(22-17)15-8-6-13(7-9-15)20-18(26)21-14-4-3-5-16(24)11-14/h3-9,11-12,24H,2,10H2,1H3,(H2,20,21,26)
InChIKey
RXGNTHUIFPNCCK-UHFFFAOYSA-N
Compound name
1-(3-hydroxyphenyl)-3-[4-(3-propoxy-1,2,4-triazol-1-yl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.12595 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13323 184.2
[M+Na]+ 392.11517 191.3
[M-H]- 368.11867 189.5
[M+NH4]+ 387.15977 193.5
[M+K]+ 408.08911 184.6
[M+H-H2O]+ 352.12321 174.3
[M+HCOO]- 414.12415 200.8
[M+CH3COO]- 428.13980 193.2
[M+Na-2H]- 390.10062 185.5
[M]+ 369.12540 186.1
[M]- 369.12650 186.1
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.