CID 392738

Nsc693543

Structural Information

Molecular Formula
C20H25N5O
SMILES
CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCCNCCN)N
InChI
InChI=1S/C20H25N5O/c1-13-5-2-6-14-17(22)15-7-3-8-16(19(15)25-18(13)14)20(26)24-11-4-10-23-12-9-21/h2-3,5-8,23H,4,9-12,21H2,1H3,(H2,22,25)(H,24,26)
InChIKey
WFABAFAAIYXLOB-UHFFFAOYSA-N
Compound name
9-amino-N-[3-(2-aminoethylamino)propyl]-5-methylacridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.2059 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.21318 182.8
[M+Na]+ 374.19512 189.4
[M-H]- 350.19862 186.0
[M+NH4]+ 369.23972 195.3
[M+K]+ 390.16906 183.5
[M+H-H2O]+ 334.20316 173.6
[M+HCOO]- 396.20410 205.5
[M+CH3COO]- 410.21975 227.6
[M+Na-2H]- 372.18057 188.8
[M]+ 351.20535 183.0
[M]- 351.20645 183.0
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.