CID 392742

Nsc693545

Structural Information

Molecular Formula
C19H23N5O
SMILES
CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCNCCN)N
InChI
InChI=1S/C19H23N5O/c1-12-4-2-5-13-16(21)14-6-3-7-15(18(14)24-17(12)13)19(25)23-11-10-22-9-8-20/h2-7,22H,8-11,20H2,1H3,(H2,21,24)(H,23,25)
InChIKey
XOHBSSZBJIWJOW-UHFFFAOYSA-N
Compound name
9-amino-N-[2-(2-aminoethylamino)ethyl]-5-methylacridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.19025 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19753 178.4
[M+Na]+ 360.17947 185.5
[M-H]- 336.18297 181.8
[M+NH4]+ 355.22407 191.6
[M+K]+ 376.15341 179.8
[M+H-H2O]+ 320.18751 169.4
[M+HCOO]- 382.18845 201.5
[M+CH3COO]- 396.20410 224.6
[M+Na-2H]- 358.16492 185.0
[M]+ 337.18970 178.3
[M]- 337.19080 178.3
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.