CID 44153582

Brn 5680493

Structural Information

Molecular Formula
C24H26Cl2N6O4
SMILES
CCOC1=C(C=C(C=C1)C2=CN(C=N2)CC(=O)N/N=C/C3=CC=C(C=C3)N(CCCl)CCCl)[N+](=O)[O-]
InChI
InChI=1S/C24H26Cl2N6O4/c1-2-36-23-8-5-19(13-22(23)32(34)35)21-15-30(17-27-21)16-24(33)29-28-14-18-3-6-20(7-4-18)31(11-9-25)12-10-26/h3-8,13-15,17H,2,9-12,16H2,1H3,(H,29,33)/b28-14+
InChIKey
HTCUOPCMPYJKTD-CCVNUDIWSA-N
Compound name
N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-[4-(4-ethoxy-3-nitrophenyl)imidazol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.1393 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.14658 222.4
[M+Na]+ 555.12852 234.3
[M+NH4]+ 550.17312 226.8
[M+K]+ 571.10246 230.5
[M-H]- 531.13202 228.6
[M+Na-2H]- 553.11397 229.1
[M]+ 532.13875 226.0
[M]- 532.13985 226.0
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.