CID 438236

Nsc627888

Structural Information

Molecular Formula
C16H15N2O2
SMILES
C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)NCC(=O)O
InChI
InChI=1S/C16H14N2O2/c1-18-13-8-4-2-6-11(13)16(17-10-15(19)20)12-7-3-5-9-14(12)18/h2-9H,10H2,1H3,(H,19,20)/p+1
InChIKey
YTHFZXKFZBDXIN-UHFFFAOYSA-O
Compound name
2-[(10-methylacridin-10-ium-9-yl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.11334 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12062 160.0
[M+Na]+ 290.10256 169.0
[M-H]- 266.10606 163.6
[M+NH4]+ 285.14716 176.1
[M+K]+ 306.07650 158.3
[M+H-H2O]+ 250.11060 154.8
[M+HCOO]- 312.11154 180.6
[M+CH3COO]- 326.12719 193.0
[M+Na-2H]- 288.08801 170.8
[M]+ 267.11279 160.7
[M]- 267.11389 160.7
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.