CID 72201063

Pterygospermin

Structural Information

Molecular Formula
C22H18N2O2S2
SMILES
C1=CC=C(C=C1)CN2C(=S)OC23C=CC4(C=C3)N(C(=S)O4)CC5=CC=CC=C5
InChI
InChI=1S/C22H18N2O2S2/c27-19-23(15-17-7-3-1-4-8-17)21(25-19)11-13-22(14-12-21)24(20(28)26-22)16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKey
OGWNPNIRZURLGD-UHFFFAOYSA-N
Compound name
1,8-dibenzyl-3,10-dioxa-1,8-diazadispiro[3.2.37.24]dodeca-5,11-diene-2,9-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

406.08096 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.08824 163.3
[M+Na]+ 429.07018 169.5
[M+NH4]+ 424.11478 166.5
[M+K]+ 445.04412 160.9
[M-H]- 405.07368 166.9
[M+Na-2H]- 427.05563 170.6
[M]+ 406.08041 164.4
[M]- 406.08151 164.4
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

patents stripe