CID 38149

Icr 340

Structural Information

Molecular Formula
C20H24Cl2N4O
SMILES
CCN(CCCNC1=C2C(=NC3=C1C=CC(=C3)Cl)C=CC(=N2)OC)CCCl
InChI
InChI=1S/C20H24Cl2N4O/c1-3-26(12-9-21)11-4-10-23-19-15-6-5-14(22)13-17(15)24-16-7-8-18(27-2)25-20(16)19/h5-8,13H,3-4,9-12H2,1-2H3,(H,23,24)
InChIKey
RONPMXQSZMYCGD-UHFFFAOYSA-N
Compound name
N'-(2-chloroethyl)-N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-ethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.13272 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.14000 194.6
[M+Na]+ 429.12194 203.8
[M-H]- 405.12544 197.4
[M+NH4]+ 424.16654 206.7
[M+K]+ 445.09588 196.8
[M+H-H2O]+ 389.12998 185.3
[M+HCOO]- 451.13092 206.6
[M+CH3COO]- 465.14657 231.4
[M+Na-2H]- 427.10739 200.3
[M]+ 406.13217 204.4
[M]- 406.13327 204.4
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.