CID 38155

Icr 415

Structural Information

Molecular Formula
C21H26Cl2N4O2
SMILES
CCN(CCOCCNC1=C2C(=NC3=C1C=CC(=C3)Cl)C=CC(=N2)OC)CCCl
InChI
InChI=1S/C21H26Cl2N4O2/c1-3-27(10-8-22)11-13-29-12-9-24-20-16-5-4-15(23)14-18(16)25-17-6-7-19(28-2)26-21(17)20/h4-7,14H,3,8-13H2,1-2H3,(H,24,25)
InChIKey
WRWLUQIOEAGVPS-UHFFFAOYSA-N
Compound name
7-chloro-N-[2-[2-[2-chloroethyl(ethyl)amino]ethoxy]ethyl]-2-methoxybenzo[b][1,5]naphthyridin-10-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.14328 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15056 201.1
[M+Na]+ 459.13250 209.6
[M-H]- 435.13600 203.7
[M+NH4]+ 454.17710 211.9
[M+K]+ 475.10644 203.1
[M+H-H2O]+ 419.14054 191.4
[M+HCOO]- 481.14148 212.9
[M+CH3COO]- 495.15713 236.3
[M+Na-2H]- 457.11795 206.5
[M]+ 436.14273 212.6
[M]- 436.14383 212.6
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.