CID 3044164

Acridine, 9,10-dihydro-10-(3,4-dihydro-2,2-dimethyl-2h-pyrrol-5-yl)-, monohydrochloride

Structural Information

Molecular Formula
C19H20N2
SMILES
CC1(CCC(=N1)N2C3=CC=CC=C3CC4=CC=CC=C42)C
InChI
InChI=1S/C19H20N2/c1-19(2)12-11-18(20-19)21-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)21/h3-10H,11-13H2,1-2H3
InChIKey
VIVMIXMWLUFMJE-UHFFFAOYSA-N
Compound name
10-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)-9H-acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.16266 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16994 167.7
[M+Na]+ 299.15188 176.8
[M-H]- 275.15538 173.5
[M+NH4]+ 294.19648 187.0
[M+K]+ 315.12582 170.3
[M+H-H2O]+ 259.15992 158.0
[M+HCOO]- 321.16086 185.1
[M+CH3COO]- 335.17651 179.0
[M+Na-2H]- 297.13733 172.3
[M]+ 276.16211 166.0
[M]- 276.16321 166.0
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.