CID 45904

63979-13-5

Structural Information

Molecular Formula
C20H18Cl2N2O
SMILES
C1=CC=C2C(=O)C=CC(=NC3=CC=C(C=C3)N(CCCl)CCCl)C2=C1
InChI
InChI=1S/C20H18Cl2N2O/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/h1-10H,11-14H2
InChIKey
AQCJZOGTECVUTC-UHFFFAOYSA-N
Compound name
4-[4-[bis(2-chloroethyl)amino]phenyl]iminonaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.07962 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08690 185.7
[M+Na]+ 395.06884 201.8
[M+NH4]+ 390.11344 195.4
[M+K]+ 411.04278 190.5
[M-H]- 371.07234 192.8
[M+Na-2H]- 393.05429 195.1
[M]+ 372.07907 190.8
[M]- 372.08017 190.8
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.