CID 3003756

Nsc23207

Structural Information

Molecular Formula
C25H20N2S
SMILES
C1CC2=CC=C(C3=CC=CC1=C23)NC(=S)NC4=CC=C5CCC6=C5C4=CC=C6
InChI
InChI=1S/C25H20N2S/c28-25(26-21-13-11-17-9-7-15-3-1-5-19(21)23(15)17)27-22-14-12-18-10-8-16-4-2-6-20(22)24(16)18/h1-6,11-14H,7-10H2,(H2,26,27,28)
InChIKey
INBPJYHSNSFIPM-UHFFFAOYSA-N
Compound name
1,3-bis(1,2-dihydroacenaphthylen-5-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1347 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14198 184.2
[M+Na]+ 403.12392 192.5
[M-H]- 379.12742 193.4
[M+NH4]+ 398.16852 204.2
[M+K]+ 419.09786 184.8
[M+H-H2O]+ 363.13196 178.0
[M+HCOO]- 425.13290 200.6
[M+CH3COO]- 439.14855 194.9
[M+Na-2H]- 401.10937 188.2
[M]+ 380.13415 188.1
[M]- 380.13525 188.1
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.