CID 340640

70458-61-6

Structural Information

Molecular Formula
C13H9N5O2
SMILES
CN1C2=CC=CC=C2C3=C1C(=O)C=C(O3)C4=NNN=N4
InChI
InChI=1S/C13H9N5O2/c1-18-8-5-3-2-4-7(8)12-11(18)9(19)6-10(20-12)13-14-16-17-15-13/h2-6H,1H3,(H,14,15,16,17)
InChIKey
NPXNAEKNDFKQAM-UHFFFAOYSA-N
Compound name
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

267.07562 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08290 157.7
[M+Na]+ 290.06484 172.8
[M-H]- 266.06834 161.7
[M+NH4]+ 285.10944 171.5
[M+K]+ 306.03878 167.4
[M+H-H2O]+ 250.07288 148.8
[M+HCOO]- 312.07382 177.6
[M+CH3COO]- 326.08947 170.7
[M+Na-2H]- 288.05029 164.1
[M]+ 267.07507 163.5
[M]- 267.07617 163.5
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