CID 498405

Nsc627748

Structural Information

Molecular Formula
C17H17N2O2
SMILES
C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)CNCC(=O)O
InChI
InChI=1S/C17H16N2O2/c1-19-15-8-4-2-6-12(15)14(10-18-11-17(20)21)13-7-3-5-9-16(13)19/h2-9,18H,10-11H2,1H3/p+1
InChIKey
DUVCKNCQNBTZFK-UHFFFAOYSA-O
Compound name
2-[(10-methylacridin-10-ium-9-yl)methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.129 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13628 164.8
[M+Na]+ 304.11822 173.3
[M-H]- 280.12172 168.2
[M+NH4]+ 299.16282 180.3
[M+K]+ 320.09216 162.4
[M+H-H2O]+ 264.12626 159.4
[M+HCOO]- 326.12720 185.0
[M+CH3COO]- 340.14285 196.0
[M+Na-2H]- 302.10367 175.0
[M]+ 281.12845 165.8
[M]- 281.12955 165.8
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.