CID 34158

Acridan, 9,9-dimethyl-10-(3-(4-(1-pyrrolidinyl)piperidino)propyl)-, maleate (1:2)

Structural Information

Molecular Formula
C27H37N3
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)CCCN4CCC(CC4)N5CCCC5)C
InChI
InChI=1S/C27H37N3/c1-27(2)23-10-3-5-12-25(23)30(26-13-6-4-11-24(26)27)19-9-16-28-20-14-22(15-21-28)29-17-7-8-18-29/h3-6,10-13,22H,7-9,14-21H2,1-2H3
InChIKey
RSCCRYABRBHDJD-UHFFFAOYSA-N
Compound name
9,9-dimethyl-10-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.29874 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.30602 206.7
[M+Na]+ 426.28796 209.8
[M-H]- 402.29146 211.4
[M+NH4]+ 421.33256 218.1
[M+K]+ 442.26190 201.5
[M+H-H2O]+ 386.29600 192.9
[M+HCOO]- 448.29694 215.1
[M+CH3COO]- 462.31259 212.3
[M+Na-2H]- 424.27341 203.7
[M]+ 403.29819 199.7
[M]- 403.29929 199.7
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.