CID 9543539

537034-15-4

Structural Information

Molecular Formula
C19H23N3O2
SMILES
C1=CC=C(C=C1)NC(=O)CCCCCC(=O)NC2=CC=CC=C2N
InChI
InChI=1S/C19H23N3O2/c20-16-11-7-8-12-17(16)22-19(24)14-6-2-5-13-18(23)21-15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14,20H2,(H,21,23)(H,22,24)
InChIKey
ZAIULUYKQLVQFH-UHFFFAOYSA-N
Compound name
N'-(2-aminophenyl)-N-phenylheptanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

146
Patents

325.17902 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 181.1
[M+Na]+ 348.16824 190.5
[M+NH4]+ 343.21284 187.1
[M+K]+ 364.14218 183.7
[M-H]- 324.17174 185.5
[M+Na-2H]- 346.15369 187.8
[M]+ 325.17847 183.3
[M]- 325.17957 183.3
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