CID 3058465

Compound 776-074

Structural Information

Molecular Formula
C19H25N5O
SMILES
C1CN(CCN1CCNC2=C(C=CC(=C2)N)C(=O)N)C3=CC=CC=C3
InChI
InChI=1S/C19H25N5O/c20-15-6-7-17(19(21)25)18(14-15)22-8-9-23-10-12-24(13-11-23)16-4-2-1-3-5-16/h1-7,14,22H,8-13,20H2,(H2,21,25)
InChIKey
GNKOOYQJLLUYLN-UHFFFAOYSA-N
Compound name
4-amino-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

339.2059 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.21318 181.4
[M+Na]+ 362.19512 184.2
[M-H]- 338.19862 186.5
[M+NH4]+ 357.23972 190.0
[M+K]+ 378.16906 178.5
[M+H-H2O]+ 322.20316 170.2
[M+HCOO]- 384.20410 199.7
[M+CH3COO]- 398.21975 219.2
[M+Na-2H]- 360.18057 183.0
[M]+ 339.20535 173.8
[M]- 339.20645 173.8
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