CID 373099

Nsc649030

Structural Information

Molecular Formula
C16H14N2O4
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C(=O)NC(CO)C(=O)O
InChI
InChI=1S/C16H14N2O4/c19-9-12(15(20)21)17-16(22)18-13-7-3-1-5-10(13)11-6-2-4-8-14(11)18/h1-8,12,19H,9H2,(H,17,22)(H,20,21)
InChIKey
SLYKZTXVGHQPBU-UHFFFAOYSA-N
Compound name
2-(carbazole-9-carbonylamino)-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.09537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.102646 165.2
[M+Na]+ 321.084588 172.5
[M-H]- 297.088094 167.3
[M+NH4]+ 316.129193 181.0
[M+K]+ 337.058528 168.6
[M+H-H2O]+ 281.092630 158.4
[M+HCOO]- 343.093571 184.1
[M+CH3COO]- 357.109221 200.5
[M+Na-2H]- 319.070036 169.4
[M]+ 298.09482142 166.6
[M]- 298.09591858 166.6
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.