CID 24833768

Brn 1227991

Structural Information

Molecular Formula
C16H15N5O3
SMILES
COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC3=NNN=N3
InChI
InChI=1S/C16H15N5O3/c1-23-12-8-6-11(7-9-12)17-16(22)13-4-2-3-5-14(13)24-10-15-18-20-21-19-15/h2-9H,10H2,1H3,(H,17,22)(H,18,19,20,21)
InChIKey
XHUJRBWUGIUCIF-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-2-(2H-tetrazol-5-ylmethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1175 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12478 172.4
[M+Na]+ 348.10672 179.3
[M-H]- 324.11022 176.1
[M+NH4]+ 343.15132 181.0
[M+K]+ 364.08066 174.4
[M+H-H2O]+ 308.11476 160.9
[M+HCOO]- 370.11570 192.1
[M+CH3COO]- 384.13135 181.9
[M+Na-2H]- 346.09217 177.0
[M]+ 325.11695 173.3
[M]- 325.11805 173.3
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.