CID 4992

Mepyramine

Structural Information

Molecular Formula
C17H23N3O
SMILES
CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2
InChI
InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
InChIKey
YECBIJXISLIIDS-UHFFFAOYSA-N
Compound name
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

2223
References

60411
Patents

285.1841 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 169.3
[M+Na]+ 308.17332 173.9
[M-H]- 284.17682 176.7
[M+NH4]+ 303.21792 184.0
[M+K]+ 324.14726 172.3
[M+H-H2O]+ 268.18136 159.1
[M+HCOO]- 330.18230 194.5
[M+CH3COO]- 344.19795 213.4
[M+Na-2H]- 306.15877 174.4
[M]+ 285.18355 172.7
[M]- 285.18465 172.7
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.