CID 217480

Icr 339

Structural Information

Molecular Formula
C19H22Cl2N4O
SMILES
CCN(CCNC1=C2C(=NC3=C1C=CC(=C3)Cl)C=CC(=N2)OC)CCCl
InChI
InChI=1S/C19H22Cl2N4O/c1-3-25(10-8-20)11-9-22-18-14-5-4-13(21)12-16(14)23-15-6-7-17(26-2)24-19(15)18/h4-7,12H,3,8-11H2,1-2H3,(H,22,23)
InChIKey
YHBYBEYEUFEHCW-UHFFFAOYSA-N
Compound name
N'-(2-chloroethyl)-N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-ethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.11707 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.12435 190.1
[M+Na]+ 415.10629 199.8
[M-H]- 391.10979 193.1
[M+NH4]+ 410.15089 202.8
[M+K]+ 431.08023 192.9
[M+H-H2O]+ 375.11433 181.0
[M+HCOO]- 437.11527 202.5
[M+CH3COO]- 451.13092 228.6
[M+Na-2H]- 413.09174 196.3
[M]+ 392.11652 199.6
[M]- 392.11762 199.6
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.