CID 3061972

N-cyclohexyl-n-ethyl-5-methyl-1h-tetrazole-1-butanamide

Structural Information

Molecular Formula
C14H25N5O
SMILES
CCN(C1CCCCC1)C(=O)CCCN2C(=NN=N2)C
InChI
InChI=1S/C14H25N5O/c1-3-18(13-8-5-4-6-9-13)14(20)10-7-11-19-12(2)15-16-17-19/h13H,3-11H2,1-2H3
InChIKey
GNNJQTRYMSDETQ-UHFFFAOYSA-N
Compound name
N-cyclohexyl-N-ethyl-4-(5-methyltetrazol-1-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

279.2059 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.21318 169.1
[M+Na]+ 302.19512 172.7
[M-H]- 278.19862 170.5
[M+NH4]+ 297.23972 181.2
[M+K]+ 318.16906 170.9
[M+H-H2O]+ 262.20316 157.9
[M+HCOO]- 324.20410 185.5
[M+CH3COO]- 338.21975 204.7
[M+Na-2H]- 300.18057 169.4
[M]+ 279.20535 167.7
[M]- 279.20645 167.7
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