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 161.4
[M+Na]+ 280.17842 170.5
[M-H]- 256.18192 166.4
[M+NH4]+ 275.22302 180.2
[M+K]+ 296.15236 155.8
[M+H-H2O]+ 240.18646 159.4
[M+HCOO]- 302.18740 179.8
[M+CH3COO]- 316.20305 193.0
[M+Na-2H]- 278.16387 172.2
[M]+ 257.18865 160.8
[M]- 257.18975 160.8
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.