CID 6446109

Brn 1127938

Structural Information

Molecular Formula
C18H20N2O
SMILES
CC1=NC2=C(C=C1)/C(=C/CCN(C)C)/C3=CC=CC=C3O2
InChI
InChI=1S/C18H20N2O/c1-13-10-11-16-14(8-6-12-20(2)3)15-7-4-5-9-17(15)21-18(16)19-13/h4-5,7-11H,6,12H2,1-3H3/b14-8+
InChIKey
DQONWMJUMLUHLS-RIYZIHGNSA-N
Compound name
(3E)-N,N-dimethyl-3-(2-methylchromeno[2,3-b]pyridin-5-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 167.4
[M+Na]+ 303.14678 175.1
[M-H]- 279.15028 173.0
[M+NH4]+ 298.19138 183.4
[M+K]+ 319.12072 171.8
[M+H-H2O]+ 263.15482 158.5
[M+HCOO]- 325.15576 186.7
[M+CH3COO]- 339.17141 178.9
[M+Na-2H]- 301.13223 174.1
[M]+ 280.15701 169.7
[M]- 280.15811 169.7
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.