CID 100166

89331-39-5

Structural Information

Molecular Formula
C18H20N4O3
SMILES
CN(C)N=NC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C18H20N4O3/c1-22(2)21-20-15-10-8-14(9-11-15)17(23)19-16(18(24)25)12-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H,19,23)(H,24,25)
InChIKey
RRZYNIPFPRIUHP-UHFFFAOYSA-N
Compound name
2-[[4-(dimethylaminodiazenyl)benzoyl]amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.15353 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16081 181.2
[M+Na]+ 363.14275 189.7
[M+NH4]+ 358.18735 186.6
[M+K]+ 379.11669 184.9
[M-H]- 339.14625 185.9
[M+Na-2H]- 361.12820 188.3
[M]+ 340.15298 183.2
[M]- 340.15408 183.2
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.