CID 41875

Brn 0723323

Structural Information

Molecular Formula
C25H19N3O3
SMILES
CCOC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)CC4=CC=NC5=CC=CC=C45
InChI
InChI=1S/C25H19N3O3/c1-2-31-18-8-10-24-22(15-18)21(20-9-7-17(28(29)30)14-25(20)27-24)13-16-11-12-26-23-6-4-3-5-19(16)23/h3-12,14-15H,2,13H2,1H3
InChIKey
PUROWRVAJXPUKC-UHFFFAOYSA-N
Compound name
2-ethoxy-6-nitro-9-(quinolin-4-ylmethyl)acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.14264 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.14992 199.0
[M+Na]+ 432.13186 206.4
[M-H]- 408.13536 205.5
[M+NH4]+ 427.17646 207.9
[M+K]+ 448.10580 195.2
[M+H-H2O]+ 392.13990 190.2
[M+HCOO]- 454.14084 217.2
[M+CH3COO]- 468.15649 223.0
[M+Na-2H]- 430.11731 208.7
[M]+ 409.14209 201.1
[M]- 409.14319 201.1
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

No patent data available for this compound.