CID 19908027

Schembl9193289

Structural Information

Molecular Formula
C21H24N2O5
SMILES
CC(N(C1=CC=CC(=C1)NC(=O)C2=CC=CC=C2)C(C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C21H24N2O5/c1-14(27-16(3)24)23(15(2)28-17(4)25)20-12-8-11-19(13-20)22-21(26)18-9-6-5-7-10-18/h5-15H,1-4H3,(H,22,26)
InChIKey
MPHSTPLNWQHZFC-UHFFFAOYSA-N
Compound name
1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

384.16852 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.175796 192.1
[M+Na]+ 407.157738 193.9
[M-H]- 383.161244 199.3
[M+NH4]+ 402.202343 202.6
[M+K]+ 423.131678 194.3
[M+H-H2O]+ 367.165780 182.6
[M+HCOO]- 429.166721 213.3
[M+CH3COO]- 443.182371 227.9
[M+Na-2H]- 405.143186 190.2
[M]+ 384.16797142 195.5
[M]- 384.16906858 195.5
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