CID 470838

Gcp 73633a

Structural Information

Molecular Formula
C25H36ClN5O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CCCCN)CCCCN
InChI
InChI=1S/C25H36ClN5O/c1-32-20-8-10-23-22(18-20)25(21-9-7-19(26)17-24(21)30-23)29-13-6-16-31(14-4-2-11-27)15-5-3-12-28/h7-10,17-18H,2-6,11-16,27-28H2,1H3,(H,29,30)
InChIKey
IDDMKIGIJPROFN-UHFFFAOYSA-N
Compound name
N'-(4-aminobutyl)-N'-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

457.26083 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.26811 213.1
[M+Na]+ 480.25005 218.1
[M-H]- 456.25355 216.1
[M+NH4]+ 475.29465 222.8
[M+K]+ 496.22399 211.1
[M+H-H2O]+ 440.25809 203.1
[M+HCOO]- 502.25903 230.8
[M+CH3COO]- 516.27468 248.9
[M+Na-2H]- 478.23550 216.3
[M]+ 457.26028 219.8
[M]- 457.26138 219.8
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