CID 45869

63978-92-7

Structural Information

Molecular Formula
C20H20Cl2N2O
SMILES
C1=CC=C2C(=C1)C(=CC=C2O)NC3=CC=C(C=C3)N(CCCl)CCCl
InChI
InChI=1S/C20H20Cl2N2O/c21-11-13-24(14-12-22)16-7-5-15(6-8-16)23-19-9-10-20(25)18-4-2-1-3-17(18)19/h1-10,23,25H,11-14H2
InChIKey
WYGOEDQHIGXZJA-UHFFFAOYSA-N
Compound name
4-[4-[bis(2-chloroethyl)amino]anilino]naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.09528 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10256 186.1
[M+Na]+ 397.08450 193.4
[M-H]- 373.08800 192.2
[M+NH4]+ 392.12910 200.0
[M+K]+ 413.05844 185.8
[M+H-H2O]+ 357.09254 178.7
[M+HCOO]- 419.09348 199.8
[M+CH3COO]- 433.10913 195.8
[M+Na-2H]- 395.06995 190.3
[M]+ 374.09473 190.6
[M]- 374.09583 190.6
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.