CID 24832718

Ro 14-1587

Structural Information

Molecular Formula
C16H14N4S
SMILES
C1CSC(=N1)NNC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C16H14N4S/c1-3-7-13-11(5-1)15(19-20-16-17-9-10-21-16)12-6-2-4-8-14(12)18-13/h1-8H,9-10H2,(H,17,20)(H,18,19)
InChIKey
QMIGRZNKYXWKLB-UHFFFAOYSA-N
Compound name
1-acridin-9-yl-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

294.0939 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10118 159.2
[M+Na]+ 317.08312 169.0
[M-H]- 293.08662 165.7
[M+NH4]+ 312.12772 176.0
[M+K]+ 333.05706 162.3
[M+H-H2O]+ 277.09116 151.1
[M+HCOO]- 339.09210 178.2
[M+CH3COO]- 353.10775 171.1
[M+Na-2H]- 315.06857 167.5
[M]+ 294.09335 160.7
[M]- 294.09445 160.7
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

patents stripe