CID 3059204

76239-34-4

Structural Information

Molecular Formula
C22H30N4O3
SMILES
CCCCCCCCCCCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C22H30N4O3/c1-2-3-4-5-6-7-8-9-10-11-15-28-19-14-12-13-17-16-18(21-23-25-26-24-21)22(27)29-20(17)19/h12-14,16H,2-11,15H2,1H3,(H,23,24,25,26)
InChIKey
UDVWGLQGVCWITF-UHFFFAOYSA-N
Compound name
8-dodecoxy-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

398.23178 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.23906 199.3
[M+Na]+ 421.22100 206.9
[M-H]- 397.22450 200.4
[M+NH4]+ 416.26560 205.8
[M+K]+ 437.19494 200.8
[M+H-H2O]+ 381.22904 187.6
[M+HCOO]- 443.22998 215.6
[M+CH3COO]- 457.24563 220.2
[M+Na-2H]- 419.20645 201.8
[M]+ 398.23123 207.1
[M]- 398.23233 207.1
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