CID 363151

Nsc627736

Structural Information

Molecular Formula
C20H23N5O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNC(CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C20H23N5O2/c21-20(22)23-11-5-10-18(19(26)27)24-12-15-13-6-1-3-8-16(13)25-17-9-4-2-7-14(15)17/h1-4,6-9,18,24H,5,10-12H2,(H,26,27)(H4,21,22,23)
InChIKey
FVMRGTYRGOCMEN-UHFFFAOYSA-N
Compound name
2-(acridin-9-ylmethylamino)-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.18518 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19246 183.2
[M+Na]+ 388.17440 187.2
[M-H]- 364.17790 185.7
[M+NH4]+ 383.21900 194.1
[M+K]+ 404.14834 182.7
[M+H-H2O]+ 348.18244 173.7
[M+HCOO]- 410.18338 204.2
[M+CH3COO]- 424.19903 228.4
[M+Na-2H]- 386.15985 188.7
[M]+ 365.18463 182.0
[M]- 365.18573 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.