CID 414517

Nsc60427

Structural Information

Molecular Formula
C20H25ClN4O
SMILES
CC(CCCN(C)C)NC1=C2C(=NC3=C1C=CC(=C3)Cl)C=CC(=N2)OC
InChI
InChI=1S/C20H25ClN4O/c1-13(6-5-11-25(2)3)22-19-15-8-7-14(21)12-17(15)23-16-9-10-18(26-4)24-20(16)19/h7-10,12-13H,5-6,11H2,1-4H3,(H,22,23)
InChIKey
YURMGNZPEHYOAL-UHFFFAOYSA-N
Compound name
4-N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-1-N,1-N-dimethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1717 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17898 190.0
[M+Na]+ 395.16092 198.6
[M-H]- 371.16442 193.8
[M+NH4]+ 390.20552 203.0
[M+K]+ 411.13486 193.0
[M+H-H2O]+ 355.16896 180.5
[M+HCOO]- 417.16990 206.2
[M+CH3COO]- 431.18555 228.6
[M+Na-2H]- 393.14637 195.4
[M]+ 372.17115 198.0
[M]- 372.17225 198.0
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.