CID 217496

Icr 351

Structural Information

Molecular Formula
C23H29Cl3N4O
SMILES
CCCCOC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CCCl)CCCl
InChI
InChI=1S/C23H29Cl3N4O/c1-2-3-15-31-21-8-7-19-23(29-21)22(18-6-5-17(26)16-20(18)28-19)27-11-4-12-30(13-9-24)14-10-25/h5-8,16H,2-4,9-15H2,1H3,(H,27,28)
InChIKey
XUURCOUFZYCWOA-UHFFFAOYSA-N
Compound name
N-(2-butoxy-7-chlorobenzo[b][1,5]naphthyridin-10-yl)-N',N'-bis(2-chloroethyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.1407 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.14798 211.4
[M+Na]+ 505.12992 219.1
[M-H]- 481.13342 212.2
[M+NH4]+ 500.17452 220.5
[M+K]+ 521.10386 211.2
[M+H-H2O]+ 465.13796 201.9
[M+HCOO]- 527.13890 216.9
[M+CH3COO]- 541.15455 243.4
[M+Na-2H]- 503.11537 214.4
[M]+ 482.14015 222.2
[M]- 482.14125 222.2
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.