CID 145765

Monometacrine

Structural Information

Molecular Formula
C19H24N2
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)CCCNC)C
InChI
InChI=1S/C19H24N2/c1-19(2)15-9-4-6-11-17(15)21(14-8-13-20-3)18-12-7-5-10-16(18)19/h4-7,9-12,20H,8,13-14H2,1-3H3
InChIKey
PGSOFANFWNSSRA-UHFFFAOYSA-N
Compound name
3-(9,9-dimethylacridin-10-yl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

280.19394 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.201216 168.4
[M+Na]+ 303.183158 176.2
[M-H]- 279.186664 172.0
[M+NH4]+ 298.227763 187.2
[M+K]+ 319.157098 170.5
[M+H-H2O]+ 263.191200 159.9
[M+HCOO]- 325.192141 187.4
[M+CH3COO]- 339.207791 179.4
[M+Na-2H]- 301.168606 175.7
[M]+ 280.19339142 168.9
[M]- 280.19448858 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe