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]+ 299.10265 165.2
[M+Na]+ 321.08459 172.5
[M-H]- 297.08809 167.3
[M+NH4]+ 316.12919 181.0
[M+K]+ 337.05853 168.6
[M+H-H2O]+ 281.09263 158.4
[M+HCOO]- 343.09357 184.1
[M+CH3COO]- 357.10922 200.5
[M+Na-2H]- 319.07004 169.4
[M]+ 298.09482 166.6
[M]- 298.09592 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.