CID 9578421

Brn 0023726

Structural Information

Molecular Formula
C16H21N3O
SMILES
CC1(C2CCC1(/C(=N\NC(=O)C3=CC=NC=C3)/C2)C)C
InChI
InChI=1S/C16H21N3O/c1-15(2)12-4-7-16(15,3)13(10-12)18-19-14(20)11-5-8-17-9-6-11/h5-6,8-9,12H,4,7,10H2,1-3H3,(H,19,20)/b18-13-
InChIKey
DRRCYXTXGVMYGZ-AQTBWJFISA-N
Compound name
N-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.16846 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 163.7
[M+Na]+ 294.15768 172.1
[M+NH4]+ 289.20228 174.6
[M+K]+ 310.13162 165.6
[M-H]- 270.16118 166.4
[M+Na-2H]- 292.14313 170.0
[M]+ 271.16791 165.6
[M]- 271.16901 165.6
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.