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 161.8
[M+Na]+ 317.08312 176.7
[M+NH4]+ 312.12772 172.0
[M+K]+ 333.05706 167.4
[M-H]- 293.08662 168.3
[M+Na-2H]- 315.06857 171.6
[M]+ 294.09335 166.4
[M]- 294.09445 166.4
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