CID 200623

Benzamide, n,n'-1,4-phenylenebis(4-amino-

Structural Information

Molecular Formula
C20H18N4O2
SMILES
C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N)N
InChI
InChI=1S/C20H18N4O2/c21-15-5-1-13(2-6-15)19(25)23-17-9-11-18(12-10-17)24-20(26)14-3-7-16(22)8-4-14/h1-12H,21-22H2,(H,23,25)(H,24,26)
InChIKey
LGTGOCSQAOUUFP-UHFFFAOYSA-N
Compound name
4-amino-N-[4-[(4-aminobenzoyl)amino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

842
Patents

346.14297 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15025 181.2
[M+Na]+ 369.13219 185.6
[M-H]- 345.13569 190.0
[M+NH4]+ 364.17679 191.9
[M+K]+ 385.10613 180.8
[M+H-H2O]+ 329.14023 171.2
[M+HCOO]- 391.14117 206.3
[M+CH3COO]- 405.15682 222.3
[M+Na-2H]- 367.11764 184.0
[M]+ 346.14242 176.4
[M]- 346.14352 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe