CID 217490

Icr 447

Structural Information

Molecular Formula
C20H24Cl2N4O
SMILES
CCCCOC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCCCl
InChI
InChI=1S/C20H24Cl2N4O/c1-2-3-12-27-18-7-6-16-20(26-18)19(24-11-10-23-9-8-21)15-5-4-14(22)13-17(15)25-16/h4-7,13,23H,2-3,8-12H2,1H3,(H,24,25)
InChIKey
FTLUYADWEOZSOZ-UHFFFAOYSA-N
Compound name
N'-(2-butoxy-7-chlorobenzo[b][1,5]naphthyridin-10-yl)-N-(2-chloroethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.13272 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.14000 193.6
[M+Na]+ 429.12194 202.7
[M-H]- 405.12544 194.9
[M+NH4]+ 424.16654 205.1
[M+K]+ 445.09588 194.4
[M+H-H2O]+ 389.12998 184.5
[M+HCOO]- 451.13092 205.1
[M+CH3COO]- 465.14657 228.3
[M+Na-2H]- 427.10739 200.1
[M]+ 406.13217 202.1
[M]- 406.13327 202.1
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.