CID 392740

Nsc693544

Structural Information

Molecular Formula
C20H24N4O
SMILES
CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN(C)C)NC
InChI
InChI=1S/C20H24N4O/c1-13-7-5-8-14-17(13)23-19-15(18(14)21-2)9-6-10-16(19)20(25)22-11-12-24(3)4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,25)
InChIKey
VDPPTSGZVLYGQR-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-5-methyl-9-(methylamino)acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.195 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.20228 181.5
[M+Na]+ 359.18422 188.9
[M-H]- 335.18772 187.1
[M+NH4]+ 354.22882 196.1
[M+K]+ 375.15816 184.7
[M+H-H2O]+ 319.19226 172.1
[M+HCOO]- 381.19320 204.8
[M+CH3COO]- 395.20885 226.3
[M+Na-2H]- 357.16967 187.9
[M]+ 336.19445 185.3
[M]- 336.19555 185.3
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.