CID 59431

102516-74-5

Structural Information

Molecular Formula
C20H24N4O3
SMILES
CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N=NN(C)C
InChI
InChI=1S/C20H24N4O3/c1-4-27-20(26)18(14-15-8-6-5-7-9-15)21-19(25)16-10-12-17(13-11-16)22-23-24(2)3/h5-13,18H,4,14H2,1-3H3,(H,21,25)
InChIKey
ZXMVESLLHSLTDG-UHFFFAOYSA-N
Compound name
ethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.18484 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19212 190.1
[M+Na]+ 391.17406 192.2
[M-H]- 367.17756 199.8
[M+NH4]+ 386.21866 202.1
[M+K]+ 407.14800 192.0
[M+H-H2O]+ 351.18210 179.2
[M+HCOO]- 413.18304 218.0
[M+CH3COO]- 427.19869 233.9
[M+Na-2H]- 389.15951 192.4
[M]+ 368.18429 193.6
[M]- 368.18539 193.6
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.