CID 393065

Nsc694452

Structural Information

Molecular Formula
C23H30N4O3
SMILES
CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN(CCOC)CCOC)N
InChI
InChI=1S/C23H30N4O3/c1-16-6-4-7-17-20(24)18-8-5-9-19(22(18)26-21(16)17)23(28)25-10-11-27(12-14-29-2)13-15-30-3/h4-9H,10-15H2,1-3H3,(H2,24,26)(H,25,28)
InChIKey
ICGDKMVDDQOXSZ-UHFFFAOYSA-N
Compound name
9-amino-N-[2-[bis(2-methoxyethyl)amino]ethyl]-5-methylacridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.23178 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.23906 200.9
[M+Na]+ 433.22100 206.4
[M-H]- 409.22450 205.3
[M+NH4]+ 428.26560 211.8
[M+K]+ 449.19494 202.8
[M+H-H2O]+ 393.22904 190.4
[M+HCOO]- 455.22998 222.8
[M+CH3COO]- 469.24563 239.0
[M+Na-2H]- 431.20645 204.9
[M]+ 410.23123 207.4
[M]- 410.23233 207.4
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.