CID 217627

Icr 423

Structural Information

Molecular Formula
C21H21ClN4O
SMILES
COC1=CC2=C(C3=NC4=CC=CC=C4C(=C13)NCCNCCCl)N=CC=C2
InChI
InChI=1S/C21H21ClN4O/c1-27-17-13-14-5-4-9-24-19(14)21-18(17)20(25-12-11-23-10-8-22)15-6-2-3-7-16(15)26-21/h2-7,9,13,23H,8,10-12H2,1H3,(H,25,26)
InChIKey
RBFJAVFQBXGSAT-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N'-(6-methoxybenzo[b][1,10]phenanthrolin-7-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.14038 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14766 190.7
[M+Na]+ 403.12960 207.9
[M+NH4]+ 398.17420 199.8
[M+K]+ 419.10354 196.5
[M-H]- 379.13310 196.1
[M+Na-2H]- 401.11505 198.4
[M]+ 380.13983 195.2
[M]- 380.14093 195.2
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.