CID 3062259

1-cyclohexyl-n,n-diethyl-1h-tetrazole-5-pentanamide

Structural Information

Molecular Formula
C16H29N5O
SMILES
CCC1CCCC(C1)N2C(=NN=N2)CCCCC(=O)NCC
InChI
InChI=1S/C16H29N5O/c1-3-13-8-7-9-14(12-13)21-15(18-19-20-21)10-5-6-11-16(22)17-4-2/h13-14H,3-12H2,1-2H3,(H,17,22)
InChIKey
VDZAMAJQDOCZHP-UHFFFAOYSA-N
Compound name
N-ethyl-5-[1-(3-ethylcyclohexyl)tetrazol-5-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

307.2372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.24448 178.4
[M+Na]+ 330.22642 181.9
[M-H]- 306.22992 178.3
[M+NH4]+ 325.27102 189.0
[M+K]+ 346.20036 178.2
[M+H-H2O]+ 290.23446 167.2
[M+HCOO]- 352.23540 193.6
[M+CH3COO]- 366.25105 208.5
[M+Na-2H]- 328.21187 177.6
[M]+ 307.23665 176.8
[M]- 307.23775 176.8
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