CID 470831

Cgp 72164a

Structural Information

Molecular Formula
C23H31N5O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NCCN(CCCCN)CCCN
InChI
InChI=1S/C23H31N5O/c24-12-5-6-15-28(16-7-13-25)17-14-26-23(29)22-18-8-1-3-10-20(18)27-21-11-4-2-9-19(21)22/h1-4,8-11H,5-7,12-17,24-25H2,(H,26,29)
InChIKey
KHWDYEILFNANHW-UHFFFAOYSA-N
Compound name
N-[2-[4-aminobutyl(3-aminopropyl)amino]ethyl]acridine-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.25287 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.26015 194.3
[M+Na]+ 416.24209 197.7
[M-H]- 392.24559 197.4
[M+NH4]+ 411.28669 205.0
[M+K]+ 432.21603 192.5
[M+H-H2O]+ 376.25013 183.8
[M+HCOO]- 438.25107 216.5
[M+CH3COO]- 452.26672 236.8
[M+Na-2H]- 414.22754 199.7
[M]+ 393.25232 195.8
[M]- 393.25342 195.8
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.