CID 454720

Maybridge2_000553

Structural Information

Molecular Formula
C22H23N3
SMILES
CN1CCN(CC1)C2=C3CCC4=CC=CC=C4C3=NC5=CC=CC=C52
InChI
InChI=1S/C22H23N3/c1-24-12-14-25(15-13-24)22-18-8-4-5-9-20(18)23-21-17-7-3-2-6-16(17)10-11-19(21)22/h2-9H,10-15H2,1H3
InChIKey
PFBWYXUNYFYQKU-UHFFFAOYSA-N
Compound name
7-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[c]acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1892 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.19648 182.1
[M+Na]+ 352.17842 188.4
[M-H]- 328.18192 185.6
[M+NH4]+ 347.22302 194.0
[M+K]+ 368.15236 180.3
[M+H-H2O]+ 312.18646 169.1
[M+HCOO]- 374.18740 192.5
[M+CH3COO]- 388.20305 189.9
[M+Na-2H]- 350.16387 187.1
[M]+ 329.18865 176.5
[M]- 329.18975 176.5
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.