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 158.9
[M+Na]+ 305.08312 167.4
[M-H]- 281.08662 164.1
[M+NH4]+ 300.12772 175.8
[M+K]+ 321.05706 162.2
[M+H-H2O]+ 265.09116 151.0
[M+HCOO]- 327.09210 178.1
[M+CH3COO]- 341.10775 170.6
[M+Na-2H]- 303.06857 166.7
[M]+ 282.09335 160.4
[M]- 282.09445 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.