CID 172994742

Mfcd35146022

Structural Information

Molecular Formula
C21H29N3O2
SMILES
CC1=CN=C(C(=C1OC)C)CN(CC2=NC=C(C(=C2C)OC)C)C3CC3
InChI
InChI=1S/C21H29N3O2/c1-13-9-22-18(15(3)20(13)25-5)11-24(17-7-8-17)12-19-16(4)21(26-6)14(2)10-23-19/h9-10,17H,7-8,11-12H2,1-6H3
InChIKey
XBKZLRPUNAJUGW-UHFFFAOYSA-N
Compound name
N,N-bis[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.22598 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.23326 192.2
[M+Na]+ 378.21520 202.0
[M-H]- 354.21870 201.4
[M+NH4]+ 373.25980 199.1
[M+K]+ 394.18914 196.9
[M+H-H2O]+ 338.22324 181.9
[M+HCOO]- 400.22418 213.9
[M+CH3COO]- 414.23983 227.4
[M+Na-2H]- 376.20065 191.9
[M]+ 355.22543 201.0
[M]- 355.22653 201.0
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.