CID 11507802

5-biphenyl-4-ylmethyl-tetrazole-1-carboxylic acid dimethylamide

Structural Information

Molecular Formula
C17H17N5O
SMILES
CN(C)C(=O)N1C(=NN=N1)CC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKey
GZNIYOXWFCDBBJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

11
Patents

307.1433 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15058 172.3
[M+Na]+ 330.13252 180.0
[M-H]- 306.13602 178.6
[M+NH4]+ 325.17712 183.3
[M+K]+ 346.10646 175.6
[M+H-H2O]+ 290.14056 160.5
[M+HCOO]- 352.14150 193.3
[M+CH3COO]- 366.15715 182.9
[M+Na-2H]- 328.11797 175.9
[M]+ 307.14275 173.9
[M]- 307.14385 173.9
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