CID 391696

Nsc691241

Structural Information

Molecular Formula
C22H29N5O
SMILES
CN(C)CCNC1=C2C=CC=C(C2=NC3=CC=CC=C31)C(=O)NCCN(C)C
InChI
InChI=1S/C22H29N5O/c1-26(2)14-12-23-20-16-8-5-6-11-19(16)25-21-17(20)9-7-10-18(21)22(28)24-13-15-27(3)4/h5-11H,12-15H2,1-4H3,(H,23,25)(H,24,28)
InChIKey
OUYIZYVQLKWWQZ-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-9-[2-(dimethylamino)ethylamino]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.2372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.24448 193.1
[M+Na]+ 402.22642 197.8
[M-H]- 378.22992 199.2
[M+NH4]+ 397.27102 205.7
[M+K]+ 418.20036 194.8
[M+H-H2O]+ 362.23446 182.6
[M+HCOO]- 424.23540 217.2
[M+CH3COO]- 438.25105 239.3
[M+Na-2H]- 400.21187 199.1
[M]+ 379.23665 197.7
[M]- 379.23775 197.7
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.