CID 9578450

Acetaldehyde, 4-(9-acridinyl)-2-methyl-3-thiosemicarbazone

Structural Information

Molecular Formula
C17H16N4S
SMILES
C/C=N/N(C)C(=S)NC1=C2C=CC=CC2=NC3=CC=CC=C31
InChI
InChI=1S/C17H16N4S/c1-3-18-21(2)17(22)20-16-12-8-4-6-10-14(12)19-15-11-7-5-9-13(15)16/h3-11H,1-2H3,(H,19,20,22)/b18-3+
InChIKey
ALCCBITXAHWODE-JFQJCAQQSA-N
Compound name
3-acridin-9-yl-1-[(E)-ethylideneamino]-1-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.10956 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11684 167.9
[M+Na]+ 331.09878 176.2
[M-H]- 307.10228 174.6
[M+NH4]+ 326.14338 184.6
[M+K]+ 347.07272 171.1
[M+H-H2O]+ 291.10682 159.1
[M+HCOO]- 353.10776 188.6
[M+CH3COO]- 367.12341 179.5
[M+Na-2H]- 329.08423 175.9
[M]+ 308.10901 171.9
[M]- 308.11011 171.9
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.