CID 24832869

Dtxsid601008754

Structural Information

Molecular Formula
C12H16N4O3
SMILES
C[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1N=NN(C)C
InChI
InChI=1S/C12H16N4O3/c1-8(12(18)19)13-11(17)9-6-4-5-7-10(9)14-15-16(2)3/h4-8H,1-3H3,(H,13,17)(H,18,19)/t8-/m0/s1
InChIKey
WTFNGERXUYKJMV-QMMMGPOBSA-N
Compound name
(2S)-2-[[2-(dimethylaminodiazenyl)benzoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.12225 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.129526 160.2
[M+Na]+ 287.111468 164.2
[M-H]- 263.114974 166.4
[M+NH4]+ 282.156073 176.4
[M+K]+ 303.085408 165.5
[M+H-H2O]+ 247.119510 151.7
[M+HCOO]- 309.120451 187.9
[M+CH3COO]- 323.136101 212.7
[M+Na-2H]- 285.096916 163.3
[M]+ 264.12170142 161.7
[M]- 264.12279858 161.7
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.