CID 6481714

1-[(z)-4h-benzo[h][1,4]benzothiazin-3-ylideneamino]-3-phenyl-thiourea

Structural Information

Molecular Formula
C19H16N4S2
SMILES
C1C(=NC2=C(S1)C3=CC=CC=C3C=C2)NNC(=S)NC4=CC=CC=C4
InChI
InChI=1S/C19H16N4S2/c24-19(20-14-7-2-1-3-8-14)23-22-17-12-25-18-15-9-5-4-6-13(15)10-11-16(18)21-17/h1-11H,12H2,(H,21,22)(H2,20,23,24)
InChIKey
LCDVIRWLQWAGCY-UHFFFAOYSA-N
Compound name
1-(2H-benzo[h][1,4]benzothiazin-3-ylamino)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.08163 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08891 170.5
[M+Na]+ 387.07085 177.1
[M-H]- 363.07435 175.9
[M+NH4]+ 382.11545 183.4
[M+K]+ 403.04479 168.6
[M+H-H2O]+ 347.07889 162.6
[M+HCOO]- 409.07983 182.0
[M+CH3COO]- 423.09548 179.5
[M+Na-2H]- 385.05630 179.0
[M]+ 364.08108 169.0
[M]- 364.08218 169.0
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.