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 187.5
[M+Na]+ 395.06884 195.2
[M-H]- 371.07234 196.0
[M+NH4]+ 390.11344 202.6
[M+K]+ 411.04278 188.1
[M+H-H2O]+ 355.07688 179.3
[M+HCOO]- 417.07782 202.9
[M+CH3COO]- 431.09347 224.3
[M+Na-2H]- 393.05429 191.2
[M]+ 372.07907 192.5
[M]- 372.08017 192.5
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.