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]+ 341.160806 180.4
[M+Na]+ 363.142748 182.9
[M-H]- 339.146254 189.2
[M+NH4]+ 358.187353 192.9
[M+K]+ 379.116688 182.4
[M+H-H2O]+ 323.150790 170.2
[M+HCOO]- 385.151731 207.6
[M+CH3COO]- 399.167381 226.4
[M+Na-2H]- 361.128196 183.5
[M]+ 340.15298142 181.6
[M]- 340.15407858 181.6
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.