CID 3062112

(e)-1-((((2-amino-5-chlorophenyl)phenylmethylene)amino)acetyl)-4-methylpiperazine

Structural Information

Molecular Formula
C20H23ClN4O
SMILES
CN1CCN(CC1)C(=O)CN=C(C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)N
InChI
InChI=1S/C20H23ClN4O/c1-24-9-11-25(12-10-24)19(26)14-23-20(15-5-3-2-4-6-15)17-13-16(21)7-8-18(17)22/h2-8,13H,9-12,14,22H2,1H3
InChIKey
HORLQSRTPPHANS-UHFFFAOYSA-N
Compound name
2-[[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]-1-(4-methylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.15604 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16332 190.2
[M+Na]+ 393.14526 194.7
[M-H]- 369.14876 196.8
[M+NH4]+ 388.18986 199.7
[M+K]+ 409.11920 188.2
[M+H-H2O]+ 353.15330 179.2
[M+HCOO]- 415.15424 203.8
[M+CH3COO]- 429.16989 222.0
[M+Na-2H]- 391.13071 190.1
[M]+ 370.15549 187.1
[M]- 370.15659 187.1
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.