CID 217512

Icr 463

Structural Information

Molecular Formula
C24H27ClN4O
SMILES
CCN(CCCNC1=C2C(=CC3=C(C2=NC4=CC=CC=C41)C=CN=C3)OC)CCCl
InChI
InChI=1S/C24H27ClN4O/c1-3-29(14-10-25)13-6-11-27-23-19-7-4-5-8-20(19)28-24-18-9-12-26-16-17(18)15-21(30-2)22(23)24/h4-5,7-9,12,15-16H,3,6,10-11,13-14H2,1-2H3,(H,27,28)
InChIKey
YMPJWKTYZKQDFB-UHFFFAOYSA-N
Compound name
N'-(2-chloroethyl)-N'-ethyl-N-(6-methoxybenzo[b][1,8]phenanthrolin-7-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.18735 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.19463 202.2
[M+Na]+ 445.17657 210.3
[M-H]- 421.18007 206.1
[M+NH4]+ 440.22117 213.6
[M+K]+ 461.15051 202.9
[M+H-H2O]+ 405.18461 191.0
[M+HCOO]- 467.18555 217.4
[M+CH3COO]- 481.20120 210.7
[M+Na-2H]- 443.16202 209.6
[M]+ 422.18680 210.6
[M]- 422.18790 210.6
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.