CID 9589324

Brn 4216103

Structural Information

Molecular Formula
C25H26ClN5O2
SMILES
COC1=C(C=C(C=C1)/C(=N/N2CCN(CC2)C3=CC=CC=C3)/N=NC4=CC=C(C=C4)Cl)OC
InChI
InChI=1S/C25H26ClN5O2/c1-32-23-13-8-19(18-24(23)33-2)25(28-27-21-11-9-20(26)10-12-21)29-31-16-14-30(15-17-31)22-6-4-3-5-7-22/h3-13,18H,14-17H2,1-2H3/b28-27?,29-25-
InChIKey
FZGYTSNJFUSJOZ-ICFOVBCDSA-N
Compound name
N-(4-chlorophenyl)imino-3,4-dimethoxy-N'-(4-phenylpiperazin-1-yl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.1775 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.18478 213.6
[M+Na]+ 486.16672 217.9
[M-H]- 462.17022 225.8
[M+NH4]+ 481.21132 219.9
[M+K]+ 502.14066 212.1
[M+H-H2O]+ 446.17476 199.1
[M+HCOO]- 508.17570 232.0
[M+CH3COO]- 522.19135 221.2
[M+Na-2H]- 484.15217 216.1
[M]+ 463.17695 215.6
[M]- 463.17805 215.6
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.