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

215
Patents

278.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14918 165.8
[M+Na]+ 301.13112 172.5
[M-H]- 277.13462 170.9
[M+NH4]+ 296.17572 179.2
[M+K]+ 317.10506 167.4
[M+H-H2O]+ 261.13916 155.2
[M+HCOO]- 323.14010 179.1
[M+CH3COO]- 337.15575 175.6
[M+Na-2H]- 299.11657 171.7
[M]+ 278.14135 160.9
[M]- 278.14245 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.