CID 495289

Nsc649031

Structural Information

Molecular Formula
C16H14N2O3
SMILES
CC(C(=O)O)NC(=O)N1C2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C16H14N2O3/c1-10(15(19)20)17-16(21)18-13-8-4-2-6-11(13)12-7-3-5-9-14(12)18/h2-10H,1H3,(H,17,21)(H,19,20)
InChIKey
OQAXDYJOGFJALA-UHFFFAOYSA-N
Compound name
2-(carbazole-9-carbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.10043 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 162.8
[M+Na]+ 305.08965 170.7
[M-H]- 281.09315 166.2
[M+NH4]+ 300.13425 180.1
[M+K]+ 321.06359 166.9
[M+H-H2O]+ 265.09769 155.9
[M+HCOO]- 327.09863 183.0
[M+CH3COO]- 341.11428 200.5
[M+Na-2H]- 303.07510 167.1
[M]+ 282.09988 164.5
[M]- 282.10098 164.5
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.