CID 54263

L-n-(p-(3,3-dimethyltriazeno)phenyl)-n-(9-fluorenylacetyl)alanine ethyl ester

Structural Information

Molecular Formula
C28H30N4O3
SMILES
CCOC(=O)C(C)N(C1=CC=C(C=C1)N=NN(C)C)C(=O)CC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C28H30N4O3/c1-5-35-28(34)19(2)32(21-16-14-20(15-17-21)29-30-31(3)4)27(33)18-26-24-12-8-6-10-22(24)23-11-7-9-13-25(23)26/h6-17,19,26H,5,18H2,1-4H3
InChIKey
ZGVFDTMMXOXTEN-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(dimethylaminodiazenyl)-N-[2-(9H-fluoren-9-yl)acetyl]anilino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.23178 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.23906 217.1
[M+Na]+ 493.22100 219.3
[M-H]- 469.22450 229.5
[M+NH4]+ 488.26560 229.2
[M+K]+ 509.19494 218.3
[M+H-H2O]+ 453.22904 206.1
[M+HCOO]- 515.22998 242.4
[M+CH3COO]- 529.24563 257.8
[M+Na-2H]- 491.20645 217.4
[M]+ 470.23123 223.4
[M]- 470.23233 223.4
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.