CID 3038128

28846-37-9

Structural Information

Molecular Formula
C15H14N4S
SMILES
CN(C(=S)NC1=C2C=CC=CC2=NC3=CC=CC=C31)N
InChI
InChI=1S/C15H14N4S/c1-19(16)15(20)18-14-10-6-2-4-8-12(10)17-13-9-5-3-7-11(13)14/h2-9H,16H2,1H3,(H,17,18,20)
InChIKey
ZYJJOXVPWPAGPM-UHFFFAOYSA-N
Compound name
3-acridin-9-yl-1-amino-1-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0939 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10118 159.7
[M+Na]+ 305.08312 173.0
[M+NH4]+ 300.12772 169.2
[M+K]+ 321.05706 163.5
[M-H]- 281.08662 165.2
[M+Na-2H]- 303.06857 167.9
[M]+ 282.09335 163.6
[M]- 282.09445 163.6
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.