CID 5012101

N'-(4-tert-butylcyclohexylidene)isonicotinohydrazide

Structural Information

Molecular Formula
C16H23N3O
SMILES
CC(C)(C)C1CCC(=NNC(=O)C2=CC=NC=C2)CC1
InChI
InChI=1S/C16H23N3O/c1-16(2,3)13-4-6-14(7-5-13)18-19-15(20)12-8-10-17-11-9-12/h8-11,13H,4-7H2,1-3H3,(H,19,20)
InChIKey
QRQDAHRLXLBVQY-UHFFFAOYSA-N
Compound name
N-[(4-tert-butylcyclohexylidene)amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.1841 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 166.3
[M+Na]+ 296.17332 169.5
[M-H]- 272.17682 171.8
[M+NH4]+ 291.21792 180.9
[M+K]+ 312.14726 166.8
[M+H-H2O]+ 256.18136 157.6
[M+HCOO]- 318.18230 186.0
[M+CH3COO]- 332.19795 204.8
[M+Na-2H]- 294.15877 170.6
[M]+ 273.18355 161.8
[M]- 273.18465 161.8
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