CID 38298

Azanator

Structural Information

Molecular Formula
C18H18N2O
SMILES
CN1CCC(=C2C3=C(N=CC=C3)OC4=CC=CC=C42)CC1
InChI
InChI=1S/C18H18N2O/c1-20-11-8-13(9-12-20)17-14-5-2-3-7-16(14)21-18-15(17)6-4-10-19-18/h2-7,10H,8-9,11-12H2,1H3
InChIKey
ALIOEEFZPKWPAV-UHFFFAOYSA-N
Compound name
5-(1-methylpiperidin-4-ylidene)chromeno[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

221
Patents

278.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.149176 165.8
[M+Na]+ 301.131118 172.5
[M-H]- 277.134624 170.9
[M+NH4]+ 296.175723 179.2
[M+K]+ 317.105058 167.4
[M+H-H2O]+ 261.139160 155.2
[M+HCOO]- 323.140101 179.1
[M+CH3COO]- 337.155751 175.6
[M+Na-2H]- 299.116566 171.7
[M]+ 278.14135142 160.9
[M]- 278.14244858 160.9
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.