CID 3088168

1,3,4-thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6h)-one, 2-methyl-

Structural Information

Molecular Formula
C12H8N4OS
SMILES
CC1=NN2C(=O)C3=C(C4=CC=CC=C4N3)N=C2S1
InChI
InChI=1S/C12H8N4OS/c1-6-15-16-11(17)10-9(14-12(16)18-6)7-4-2-3-5-8(7)13-10/h2-5,13H,1H3
InChIKey
CFCNQMLJQMEAMJ-UHFFFAOYSA-N
Compound name
13-methyl-14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.04187 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.04915 154.0
[M+Na]+ 279.03109 170.4
[M+NH4]+ 274.07569 163.0
[M+K]+ 295.00503 164.5
[M-H]- 255.03459 155.5
[M+Na-2H]- 277.01654 159.4
[M]+ 256.04132 157.4
[M]- 256.04242 157.4
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.