CID 9570311

15407-86-0

Structural Information

Molecular Formula
C16H21N3O
SMILES
CC\1(C2CCC(C2)(/C1=N/NC(=O)C3=CC=NC=C3)C)C
InChI
InChI=1S/C16H21N3O/c1-15(2)12-4-7-16(3,10-12)14(15)19-18-13(20)11-5-8-17-9-6-11/h5-6,8-9,12H,4,7,10H2,1-3H3,(H,18,20)/b19-14+
InChIKey
UBGJKRBQTVFLFD-XMHGGMMESA-N
Compound name
N-[(Z)-(1,3,3-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

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 162.2
[M+Na]+ 294.15768 169.4
[M-H]- 270.16118 168.6
[M+NH4]+ 289.20228 186.4
[M+K]+ 310.13162 166.0
[M+H-H2O]+ 254.16572 155.7
[M+HCOO]- 316.16666 184.8
[M+CH3COO]- 330.18231 204.2
[M+Na-2H]- 292.14313 166.4
[M]+ 271.16791 161.8
[M]- 271.16901 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

No patent data available for this compound.