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]+ 265.12953 160.2
[M+Na]+ 287.11147 164.2
[M-H]- 263.11497 166.4
[M+NH4]+ 282.15607 176.4
[M+K]+ 303.08541 165.5
[M+H-H2O]+ 247.11951 151.7
[M+HCOO]- 309.12045 187.9
[M+CH3COO]- 323.13610 212.7
[M+Na-2H]- 285.09692 163.3
[M]+ 264.12170 161.7
[M]- 264.12280 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.