CID 363154

Nsc627740

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNCC(=O)O
InChI
InChI=1S/C16H14N2O2/c19-16(20)10-17-9-13-11-5-1-3-7-14(11)18-15-8-4-2-6-12(13)15/h1-8,17H,9-10H2,(H,19,20)
InChIKey
JLWPUIDGVMRIRM-UHFFFAOYSA-N
Compound name
2-(acridin-9-ylmethylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 157.6
[M+Na]+ 289.09475 166.1
[M-H]- 265.09825 160.6
[M+NH4]+ 284.13935 173.8
[M+K]+ 305.06869 160.8
[M+H-H2O]+ 249.10279 149.6
[M+HCOO]- 311.10373 178.7
[M+CH3COO]- 325.11938 169.2
[M+Na-2H]- 287.08020 167.1
[M]+ 266.10498 159.2
[M]- 266.10608 159.2
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.