CID 15296916

147225-68-1

Structural Information

Molecular Formula

C₁₄H₁₃N₅

SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN)C3=NNN=N3

InChI

InChI=1S/C14H13N5/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-16-18-19-17-14/h1-8H,9,15H2,(H,16,17,18,19)

InChIKey

QSRSXEHFQCQDRK-UHFFFAOYSA-N

Compound name

[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 61
Patents: 251.1171 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.124376	156.5
[M+Na]+	274.106318	165.0
[M-H]-	250.109824	159.7
[M+NH4]+	269.150923	168.3
[M+K]+	290.080258	158.2
[M+H-H2O]+	234.114360	145.7
[M+HCOO]-	296.115301	176.5
[M+CH3COO]-	310.130951	167.2
[M+Na-2H]-	272.091766	162.0
[M]+	251.11655142	153.1
[M]-	251.11764858	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe