CID 3065304

1-piperazinecarboximidamide, n-(3,5-dichlorophenyl)-4-(2-methoxyphenyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H20Cl2N4O
SMILES
COC1=CC=CC=C1N2CCN(CC2)C(=NC3=CC(=CC(=C3)Cl)Cl)N
InChI
InChI=1S/C18H20Cl2N4O/c1-25-17-5-3-2-4-16(17)23-6-8-24(9-7-23)18(21)22-15-11-13(19)10-14(20)12-15/h2-5,10-12H,6-9H2,1H3,(H2,21,22)
InChIKey
CTQJQDJECZVMQZ-UHFFFAOYSA-N
Compound name
N'-(3,5-dichlorophenyl)-4-(2-methoxyphenyl)piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

378.1014 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10868 189.0
[M+Na]+ 401.09062 195.6
[M-H]- 377.09412 195.2
[M+NH4]+ 396.13522 199.2
[M+K]+ 417.06456 188.7
[M+H-H2O]+ 361.09866 178.8
[M+HCOO]- 423.09960 198.9
[M+CH3COO]- 437.11525 197.4
[M+Na-2H]- 399.07607 189.4
[M]+ 378.10085 188.3
[M]- 378.10195 188.3
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

patents stripe