CID 459790

2-methoxy-9-octadecylaminoacridine

Structural Information

Molecular Formula
C32H48N2O
SMILES
CCCCCCCCCCCCCCCCCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC
InChI
InChI=1S/C32H48N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-33-32-28-21-18-19-22-30(28)34-31-24-23-27(35-2)26-29(31)32/h18-19,21-24,26H,3-17,20,25H2,1-2H3,(H,33,34)
InChIKey
NCLXYWRQHYCGMA-UHFFFAOYSA-N
Compound name
2-methoxy-N-octadecylacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

476.37668 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.38396 228.6
[M+Na]+ 499.36590 231.0
[M-H]- 475.36940 229.6
[M+NH4]+ 494.41050 236.9
[M+K]+ 515.33984 222.4
[M+H-H2O]+ 459.37394 216.7
[M+HCOO]- 521.37488 245.7
[M+CH3COO]- 535.39053 247.1
[M+Na-2H]- 497.35135 229.7
[M]+ 476.37613 237.1
[M]- 476.37723 237.1
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

patents stripe