CID 3005224

Nsc684146

Structural Information

Molecular Formula
C27H26N4S
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)NC(=S)NC4=C5CCCCC5=NC6=CC=CC=C64
InChI
InChI=1S/C27H26N4S/c32-27(30-25-17-9-1-5-13-21(17)28-22-14-6-2-10-18(22)25)31-26-19-11-3-7-15-23(19)29-24-16-8-4-12-20(24)26/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16H2,(H2,28,29,30,31,32)
InChIKey
GMCNXFSROKTTBP-UHFFFAOYSA-N
Compound name
1,3-bis(1,2,3,4-tetrahydroacridin-9-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.1878 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.19508 193.0
[M+Na]+ 461.17702 198.1
[M-H]- 437.18052 197.9
[M+NH4]+ 456.22162 202.7
[M+K]+ 477.15096 189.0
[M+H-H2O]+ 421.18506 181.6
[M+HCOO]- 483.18600 201.1
[M+CH3COO]- 497.20165 199.4
[M+Na-2H]- 459.16247 200.3
[M]+ 438.18725 189.3
[M]- 438.18835 189.3
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.