CID 44154088

Brn 5667638

Structural Information

Molecular Formula
C25H29Cl2N5O2
SMILES
CCCOC1=CC=C(C=C1)C2=CN(C=N2)CC(=O)N/N=C/C3=CC=C(C=C3)N(CCCl)CCCl
InChI
InChI=1S/C25H29Cl2N5O2/c1-2-15-34-23-9-5-21(6-10-23)24-17-31(19-28-24)18-25(33)30-29-16-20-3-7-22(8-4-20)32(13-11-26)14-12-27/h3-10,16-17,19H,2,11-15,18H2,1H3,(H,30,33)/b29-16+
InChIKey
VSMNHDKEAPANGP-MUFRIFMGSA-N
Compound name
N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-[4-(4-propoxyphenyl)imidazol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.16983 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.17711 222.8
[M+Na]+ 524.15905 227.3
[M-H]- 500.16255 230.8
[M+NH4]+ 519.20365 230.0
[M+K]+ 540.13299 220.4
[M+H-H2O]+ 484.16709 210.6
[M+HCOO]- 546.16803 237.7
[M+CH3COO]- 560.18368 248.4
[M+Na-2H]- 522.14450 221.7
[M]+ 501.16928 231.2
[M]- 501.17038 231.2
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.