CID 3068049

2-methyl-5h-benzo(g)-1,3,4-thiadiazolo(2,3-b)quinazolin-5-one

Structural Information

Molecular Formula
C14H9N3OS
SMILES
CC1=NN2C(=O)C3=CC4=CC=CC=C4C=C3N=C2S1
InChI
InChI=1S/C14H9N3OS/c1-8-16-17-13(18)11-6-9-4-2-3-5-10(9)7-12(11)15-14(17)19-8/h2-7H,1H3
InChIKey
QSPWQNWCPDPOGK-UHFFFAOYSA-N
Compound name
14-methyl-13-thia-11,15,16-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,11,14-heptaen-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.04663 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.05391 156.3
[M+Na]+ 290.03585 172.3
[M-H]- 266.03935 161.0
[M+NH4]+ 285.08045 175.3
[M+K]+ 306.00979 165.7
[M+H-H2O]+ 250.04389 149.2
[M+HCOO]- 312.04483 173.9
[M+CH3COO]- 326.06048 170.3
[M+Na-2H]- 288.02130 164.2
[M]+ 267.04608 164.3
[M]- 267.04718 164.3
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.