CID 58006

100773-63-5

Structural Information

Molecular Formula
C20H28N3O
SMILES
CC[N+](C)(CC)CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C20H27N3O/c1-4-23(3,5-2)16-15-22(19-9-7-6-8-10-19)20(24)17-11-13-18(21)14-12-17/h6-14H,4-5,15-16H2,1-3H3,(H-,21,24)/p+1
InChIKey
CCVUNVMAYNECHX-UHFFFAOYSA-O
Compound name
2-(N-(4-aminobenzoyl)anilino)ethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.22324 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.23052 180.1
[M+Na]+ 349.21246 183.0
[M-H]- 325.21596 188.2
[M+NH4]+ 344.25706 193.8
[M+K]+ 365.18640 174.8
[M+H-H2O]+ 309.22050 173.6
[M+HCOO]- 371.22144 204.0
[M+CH3COO]- 385.23709 215.9
[M+Na-2H]- 347.19791 185.9
[M]+ 326.22269 179.3
[M]- 326.22379 179.3
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.