CID 363148

Nsc627732

Structural Information

Molecular Formula
C18H17N3O3
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(CCC(=O)N)C(=O)O
InChI
InChI=1S/C18H17N3O3/c19-16(22)10-9-15(18(23)24)21-17-11-5-1-3-7-13(11)20-14-8-4-2-6-12(14)17/h1-8,15H,9-10H2,(H2,19,22)(H,20,21)(H,23,24)
InChIKey
MCEOSFLPPNZGRR-UHFFFAOYSA-N
Compound name
2-(acridin-9-ylamino)-5-amino-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.12698 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13426 172.4
[M+Na]+ 346.11620 178.4
[M-H]- 322.11970 174.5
[M+NH4]+ 341.16080 185.1
[M+K]+ 362.09014 173.9
[M+H-H2O]+ 306.12424 163.9
[M+HCOO]- 368.12518 191.3
[M+CH3COO]- 382.14083 212.9
[M+Na-2H]- 344.10165 178.1
[M]+ 323.12643 172.4
[M]- 323.12753 172.4
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.