CID 374873

Nsc653385

Structural Information

Molecular Formula
C22H18N2OS2
SMILES
CC1(C2(C=CC3=CC4=CC=CC=C4N=C3S2)N(C(=S)O1)C5=CC=CC=C5)C
InChI
InChI=1S/C22H18N2OS2/c1-21(2)22(24(20(26)25-21)17-9-4-3-5-10-17)13-12-16-14-15-8-6-7-11-18(15)23-19(16)27-22/h3-14H,1-2H3
InChIKey
ZXLMNNVQVBVIQD-UHFFFAOYSA-N
Compound name
5,5-dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-thiopyrano[2,3-b]quinoline]-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.08606 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.09334 186.0
[M+Na]+ 413.07528 198.1
[M-H]- 389.07878 194.3
[M+NH4]+ 408.11988 202.8
[M+K]+ 429.04922 191.6
[M+H-H2O]+ 373.08332 178.1
[M+HCOO]- 435.08426 192.9
[M+CH3COO]- 449.09991 196.4
[M+Na-2H]- 411.06073 189.9
[M]+ 390.08551 188.8
[M]- 390.08661 188.8
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.