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
2
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

literature stripe

Patent stripe

patents stripe