CID 3044167

56821-02-4

Structural Information

Molecular Formula
C20H22N2
SMILES
CC1CCC(=N1)N2C3=CC=CC=C3C(C4=CC=CC=C42)(C)C
InChI
InChI=1S/C20H22N2/c1-14-12-13-19(21-14)22-17-10-6-4-8-15(17)20(2,3)16-9-5-7-11-18(16)22/h4-11,14H,12-13H2,1-3H3
InChIKey
GNXVCEUMQOTOTM-UHFFFAOYSA-N
Compound name
9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

290.17828 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 172.3
[M+Na]+ 313.16750 181.9
[M-H]- 289.17100 178.3
[M+NH4]+ 308.21210 191.3
[M+K]+ 329.14144 175.2
[M+H-H2O]+ 273.17554 162.7
[M+HCOO]- 335.17648 189.4
[M+CH3COO]- 349.19213 183.5
[M+Na-2H]- 311.15295 175.7
[M]+ 290.17773 171.4
[M]- 290.17883 171.4
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

patents stripe