CID 57653

100243-31-0

Structural Information

Molecular Formula
C26H29N3O2
SMILES
CCN(CC)CCN(C1=CC=CC=C1NC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H29N3O2/c1-3-28(4-2)19-20-29(26(31)22-15-9-6-10-16-22)24-18-12-11-17-23(24)27-25(30)21-13-7-5-8-14-21/h5-18H,3-4,19-20H2,1-2H3,(H,27,30)
InChIKey
MXVKQSHBOBEWPQ-UHFFFAOYSA-N
Compound name
N-[2-[benzoyl-[2-(diethylamino)ethyl]amino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.22598 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.23326 204.8
[M+Na]+ 438.21520 205.6
[M-H]- 414.21870 215.4
[M+NH4]+ 433.25980 214.0
[M+K]+ 454.18914 202.6
[M+H-H2O]+ 398.22324 193.0
[M+HCOO]- 460.22418 228.9
[M+CH3COO]- 474.23983 239.1
[M+Na-2H]- 436.20065 205.7
[M]+ 415.22543 205.9
[M]- 415.22653 205.9
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.