CID 6895692

4-amino-n-[(e)-benzylideneamino]benzamide

Structural Information

Molecular Formula
C14H13N3O
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H13N3O/c15-13-8-6-12(7-9-13)14(18)17-16-10-11-4-2-1-3-5-11/h1-10H,15H2,(H,17,18)/b16-10+
InChIKey
SIIYIFFQXBUHDX-MHWRWJLKSA-N
Compound name
4-amino-N-[(E)-benzylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
Patents

239.10587 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11315 152.9
[M+Na]+ 262.09509 158.7
[M-H]- 238.09859 160.4
[M+NH4]+ 257.13969 169.6
[M+K]+ 278.06903 155.1
[M+H-H2O]+ 222.10313 144.4
[M+HCOO]- 284.10407 180.8
[M+CH3COO]- 298.11972 199.9
[M+Na-2H]- 260.08054 159.6
[M]+ 239.10532 150.3
[M]- 239.10642 150.3
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