CID 15296916

145733-69-3

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
1
Annotation Hits

0
References

66
Patents

251.1171 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12438 156.5
[M+Na]+ 274.10632 165.0
[M-H]- 250.10982 159.7
[M+NH4]+ 269.15092 168.3
[M+K]+ 290.08026 158.2
[M+H-H2O]+ 234.11436 145.7
[M+HCOO]- 296.11530 176.5
[M+CH3COO]- 310.13095 167.2
[M+Na-2H]- 272.09177 162.0
[M]+ 251.11655 153.1
[M]- 251.11765 153.1
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