CID 217488

Icr 359

Structural Information

Molecular Formula
C22H27Cl3N4O
SMILES
CC(CCCN(CCCl)CCCl)NC1=C2C(=NC3=C1C=CC(=C3)Cl)C=CC(=N2)OC
InChI
InChI=1S/C22H27Cl3N4O/c1-15(4-3-11-29(12-9-23)13-10-24)26-21-17-6-5-16(25)14-19(17)27-18-7-8-20(30-2)28-22(18)21/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,26,27)
InChIKey
IYUQDWMZXIHOKX-UHFFFAOYSA-N
Compound name
1-N,1-N-bis(2-chloroethyl)-4-N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.12503 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.13231 206.6
[M+Na]+ 491.11425 214.5
[M-H]- 467.11775 207.8
[M+NH4]+ 486.15885 216.3
[M+K]+ 507.08819 207.3
[M+H-H2O]+ 451.12229 197.7
[M+HCOO]- 513.12323 211.6
[M+CH3COO]- 527.13888 241.5
[M+Na-2H]- 489.09970 209.2
[M]+ 468.12448 216.7
[M]- 468.12558 216.7
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.