CID 337410

75041-88-2

Structural Information

Molecular Formula
C13H8ClN5O2
SMILES
CN1C2=C(C=C(C=C2)Cl)C3=C1C(=O)C=C(O3)C4=NNN=N4
InChI
InChI=1S/C13H8ClN5O2/c1-19-8-3-2-6(14)4-7(8)12-11(19)9(20)5-10(21-12)13-15-17-18-16-13/h2-5H,1H3,(H,15,16,17,18)
InChIKey
FXHJYMSEVQZZTE-UHFFFAOYSA-N
Compound name
8-chloro-5-methyl-2-(2H-tetrazol-5-yl)pyrano[3,2-b]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

301.03665 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04393 165.3
[M+Na]+ 324.02587 181.7
[M-H]- 300.02937 169.2
[M+NH4]+ 319.07047 178.7
[M+K]+ 339.99981 175.2
[M+H-H2O]+ 284.03391 156.4
[M+HCOO]- 346.03485 180.2
[M+CH3COO]- 360.05050 178.0
[M+Na-2H]- 322.01132 170.3
[M]+ 301.03610 173.2
[M]- 301.03720 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe