CID 124712

9-aminoacridylpropranolol

Structural Information

Molecular Formula
C29H29N3O2
SMILES
CC(CNC1=C2C=CC=CC2=NC3=CC=CC=C31)NCC(COC4=CC=CC5=CC=CC=C54)O
InChI
InChI=1S/C29H29N3O2/c1-20(30-18-22(33)19-34-28-16-8-10-21-9-2-3-11-23(21)28)17-31-29-24-12-4-6-14-26(24)32-27-15-7-5-13-25(27)29/h2-16,20,22,30,33H,17-19H2,1H3,(H,31,32)
InChIKey
BXXLGOHTSBJVDR-UHFFFAOYSA-N
Compound name
1-[1-(acridin-9-ylamino)propan-2-ylamino]-3-naphthalen-1-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

6
Patents

451.22598 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.23326 206.3
[M+Na]+ 474.21520 210.0
[M-H]- 450.21870 211.4
[M+NH4]+ 469.25980 214.2
[M+K]+ 490.18914 202.9
[M+H-H2O]+ 434.22324 194.3
[M+HCOO]- 496.22418 222.8
[M+CH3COO]- 510.23983 212.7
[M+Na-2H]- 472.20065 213.4
[M]+ 451.22543 207.4
[M]- 451.22653 207.4
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