CID 56683

Brn 5600584

Structural Information

Molecular Formula
C20H20Cl2N4
SMILES
C1=CC(=CC=C1C=NC2=CC=C(C=C2)C3=CN=CN3)N(CCCl)CCCl
InChI
InChI=1S/C20H20Cl2N4/c21-9-11-26(12-10-22)19-7-1-16(2-8-19)13-24-18-5-3-17(4-6-18)20-14-23-15-25-20/h1-8,13-15H,9-12H2,(H,23,25)
InChIKey
SURSXSODVFYHIL-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-[[4-(1H-imidazol-5-yl)phenyl]iminomethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1065 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11378 192.5
[M+Na]+ 409.09572 199.2
[M-H]- 385.09922 199.1
[M+NH4]+ 404.14032 203.9
[M+K]+ 425.06966 190.8
[M+H-H2O]+ 369.10376 181.4
[M+HCOO]- 431.10470 206.8
[M+CH3COO]- 445.12035 201.4
[M+Na-2H]- 407.08117 194.2
[M]+ 386.10595 196.1
[M]- 386.10705 196.1
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.