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]+ 283.101176 158.9
[M+Na]+ 305.083118 167.4
[M-H]- 281.086624 164.1
[M+NH4]+ 300.127723 175.8
[M+K]+ 321.057058 162.2
[M+H-H2O]+ 265.091160 151.0
[M+HCOO]- 327.092101 178.1
[M+CH3COO]- 341.107751 170.6
[M+Na-2H]- 303.068566 166.7
[M]+ 282.09335142 160.4
[M]- 282.09444858 160.4
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

No patent data available for this compound.