CID 71594615

1-[(e)-1-phenylethylideneamino]-3-[3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea

Structural Information

Molecular Formula
C17H15N5OS2
SMILES
C/C(=N\NC(=S)NC1=CC=CC(=C1)C2=NNC(=S)O2)/C3=CC=CC=C3
InChI
InChI=1S/C17H15N5OS2/c1-11(12-6-3-2-4-7-12)19-21-16(24)18-14-9-5-8-13(10-14)15-20-22-17(25)23-15/h2-10H,1H3,(H,22,25)(H2,18,21,24)/b19-11+
InChIKey
TXDVKFMTYFHKLQ-YBFXNURJSA-N
Compound name
1-[(E)-1-phenylethylideneamino]-3-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.0718 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.07908 183.4
[M+Na]+ 392.06102 191.0
[M-H]- 368.06452 191.4
[M+NH4]+ 387.10562 193.3
[M+K]+ 408.03496 183.6
[M+H-H2O]+ 352.06906 174.8
[M+HCOO]- 414.07000 197.0
[M+CH3COO]- 428.08565 192.7
[M+Na-2H]- 390.04647 184.9
[M]+ 369.07125 183.3
[M]- 369.07235 183.3
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.