CID 9578400

Brn 0019939

Structural Information

Molecular Formula
C16H23N3O
SMILES
CC1CCC(/C(=N/NC(=O)C2=CC=NC=C2)/C1)C(C)C
InChI
InChI=1S/C16H23N3O/c1-11(2)14-5-4-12(3)10-15(14)18-19-16(20)13-6-8-17-9-7-13/h6-9,11-12,14H,4-5,10H2,1-3H3,(H,19,20)/b18-15+
InChIKey
SFMCVPPPWYHUBS-OBGWFSINSA-N
Compound name
N-[(E)-(5-methyl-2-propan-2-ylcyclohexylidene)amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1841 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 166.7
[M+Na]+ 296.17332 170.1
[M-H]- 272.17682 172.3
[M+NH4]+ 291.21792 181.3
[M+K]+ 312.14726 167.3
[M+H-H2O]+ 256.18136 157.6
[M+HCOO]- 318.18230 187.0
[M+CH3COO]- 332.19795 207.2
[M+Na-2H]- 294.15877 168.2
[M]+ 273.18355 162.6
[M]- 273.18465 162.6
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

No patent data available for this compound.