CID 148284

Icr 364

Structural Information

Molecular Formula
C17H18Cl2N4O
SMILES
COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCCCl
InChI
InChI=1S/C17H18Cl2N4O/c1-24-15-5-4-13-17(23-15)16(21-9-8-20-7-6-18)12-3-2-11(19)10-14(12)22-13/h2-5,10,20H,6-9H2,1H3,(H,21,22)
InChIKey
YZPLGURZAJHNHA-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N'-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.08575 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.09303 180.3
[M+Na]+ 387.07497 190.8
[M-H]- 363.07847 182.2
[M+NH4]+ 382.11957 193.6
[M+K]+ 403.04891 183.1
[M+H-H2O]+ 347.08301 171.9
[M+HCOO]- 409.08395 192.9
[M+CH3COO]- 423.09960 190.3
[M+Na-2H]- 385.06042 188.4
[M]+ 364.08520 187.9
[M]- 364.08630 187.9
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.