CID 470844

Cgp 79238a

Structural Information

Molecular Formula
C27H40ClN5O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCCN(CCCCN)CCCCN
InChI
InChI=1S/C27H40ClN5O/c1-34-22-10-12-25-24(20-22)27(23-11-9-21(28)19-26(23)32-25)31-15-5-2-6-16-33(17-7-3-13-29)18-8-4-14-30/h9-12,19-20H,2-8,13-18,29-30H2,1H3,(H,31,32)
InChIKey
GFJPSFBWCOLGKI-UHFFFAOYSA-N
Compound name
N',N'-bis(4-aminobutyl)-N-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

485.29214 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.29942 221.7
[M+Na]+ 508.28136 225.7
[M-H]- 484.28486 224.2
[M+NH4]+ 503.32596 230.1
[M+K]+ 524.25530 218.3
[M+H-H2O]+ 468.28940 211.2
[M+HCOO]- 530.29034 238.6
[M+CH3COO]- 544.30599 254.6
[M+Na-2H]- 506.26681 223.8
[M]+ 485.29159 229.0
[M]- 485.29269 229.0
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.