CID 3062260

N-cyclohexyl-n-ethyl-1-phenyl-1h-tetrazole-5-pentanamide

Structural Information

Molecular Formula
C20H29N5O
SMILES
CCN(C1CCCCC1)C(=O)CCCCC2=NN=NN2C3=CC=CC=C3
InChI
InChI=1S/C20H29N5O/c1-2-24(17-11-5-3-6-12-17)20(26)16-10-9-15-19-21-22-23-25(19)18-13-7-4-8-14-18/h4,7-8,13-14,17H,2-3,5-6,9-12,15-16H2,1H3
InChIKey
KEJRVBBZOIUEDA-UHFFFAOYSA-N
Compound name
N-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

355.2372 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.24448 187.8
[M+Na]+ 378.22642 189.8
[M-H]- 354.22992 191.7
[M+NH4]+ 373.27102 196.0
[M+K]+ 394.20036 185.7
[M+H-H2O]+ 338.23446 174.7
[M+HCOO]- 400.23540 203.4
[M+CH3COO]- 414.25105 218.2
[M+Na-2H]- 376.21187 187.4
[M]+ 355.23665 185.7
[M]- 355.23775 185.7
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

patents stripe