CID 25170372

Trin-2755

Structural Information

Molecular Formula
C20H22N4O5
SMILES
CN(C)N=NC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCC(=O)NCC(=O)O
InChI
InChI=1S/C20H22N4O5/c1-24(2)23-22-16-7-3-14(4-8-16)20(28)15-5-9-17(10-6-15)29-12-11-18(25)21-13-19(26)27/h3-10H,11-13H2,1-2H3,(H,21,25)(H,26,27)
InChIKey
VJRVZEJVUUHRRS-UHFFFAOYSA-N
Compound name
2-[3-[4-[4-(dimethylaminodiazenyl)benzoyl]phenoxy]propanoylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

398.15903 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.166306 193.2
[M+Na]+ 421.148248 195.5
[M-H]- 397.151754 201.8
[M+NH4]+ 416.192853 203.2
[M+K]+ 437.122188 195.6
[M+H-H2O]+ 381.156290 182.4
[M+HCOO]- 443.157231 220.2
[M+CH3COO]- 457.172881 237.2
[M+Na-2H]- 419.133696 194.9
[M]+ 398.15848142 197.4
[M]- 398.15957858 197.4
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

patents stripe