CID 3076090

130019-22-6

Structural Information

Molecular Formula
C17H15N5O
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(N=N3)CCC#N
InChI
InChI=1S/C17H15N5O/c18-11-4-12-22-20-17(19-21-22)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2
InChIKey
FWRQMAVAOSMPTQ-UHFFFAOYSA-N
Compound name
3-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

305.12766 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13494 167.2
[M+Na]+ 328.11688 176.6
[M-H]- 304.12038 168.5
[M+NH4]+ 323.16148 175.8
[M+K]+ 344.09082 169.5
[M+H-H2O]+ 288.12492 148.1
[M+HCOO]- 350.12586 183.0
[M+CH3COO]- 364.14151 175.5
[M+Na-2H]- 326.10233 170.9
[M]+ 305.12711 163.2
[M]- 305.12821 163.2
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