CID 14400756

Brn 5642477

Structural Information

Molecular Formula
C22H23Cl2N5O
SMILES
C1=CC=C(C=C1)C2=CN(C=N2)CC(=O)N/N=C/C3=CC=C(C=C3)N(CCCl)CCCl
InChI
InChI=1S/C22H23Cl2N5O/c23-10-12-29(13-11-24)20-8-6-18(7-9-20)14-26-27-22(30)16-28-15-21(25-17-28)19-4-2-1-3-5-19/h1-9,14-15,17H,10-13,16H2,(H,27,30)/b26-14+
InChIKey
AUUJYBRWKILDER-VULFUBBASA-N
Compound name
N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(4-phenylimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.12796 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.13524 207.2
[M+Na]+ 466.11718 212.4
[M-H]- 442.12068 215.2
[M+NH4]+ 461.16178 216.5
[M+K]+ 482.09112 205.2
[M+H-H2O]+ 426.12522 195.3
[M+HCOO]- 488.12616 222.9
[M+CH3COO]- 502.14181 236.7
[M+Na-2H]- 464.10263 208.1
[M]+ 443.12741 212.8
[M]- 443.12851 212.8
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.