CID 24832871

89331-42-0

Structural Information

Molecular Formula
C18H20N4O3
SMILES
CN(C)N=NC1=CC=CC=C1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C18H20N4O3/c1-22(2)21-20-15-11-7-6-10-14(15)17(23)19-16(18(24)25)12-13-8-4-3-5-9-13/h3-11,16H,12H2,1-2H3,(H,19,23)(H,24,25)/t16-/m0/s1
InChIKey
LJCFSTYSFUYHAG-INIZCTEOSA-N
Compound name
(2S)-2-[[2-(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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16081 180.4
[M+Na]+ 363.14275 182.9
[M-H]- 339.14625 189.2
[M+NH4]+ 358.18735 192.9
[M+K]+ 379.11669 182.4
[M+H-H2O]+ 323.15079 170.2
[M+HCOO]- 385.15173 207.6
[M+CH3COO]- 399.16738 226.4
[M+Na-2H]- 361.12820 183.5
[M]+ 340.15298 181.6
[M]- 340.15408 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.