CID 24844874

6-dimethylaminoharman bis-methochloride

Structural Information

Molecular Formula
C16H23N3
SMILES
CC1=[N+]2CC3=C(C2C=CN1C)C=C(C=C3)[N+](C)(C)C
InChI
InChI=1S/C16H23N3/c1-12-17(2)9-8-16-15-10-14(19(3,4)5)7-6-13(15)11-18(12)16/h6-10,16H,11H2,1-5H3/q+2
InChIKey
SZEPAJWUBYOBAV-UHFFFAOYSA-N
Compound name
(1,2-dimethyl-4a,9-dihydropyrimido[6,1-a]isoindol-10-ium-6-yl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1892 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.19648 156.5
[M+Na]+ 280.17842 174.2
[M+NH4]+ 275.22302 168.3
[M+K]+ 296.15236 169.5
[M-H]- 256.18192 163.3
[M+Na-2H]- 278.16387 164.4
[M]+ 257.18865 161.9
[M]- 257.18975 161.9
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.