CID 499301

Nsc668525

Structural Information

Molecular Formula
C20H16N4O3
SMILES
C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCC4=CC=CC=[N+]4[O-]
InChI
InChI=1S/C20H16N4O3/c25-23-13-4-3-6-14(23)11-12-21-20-15-7-1-2-8-16(15)22-17-9-5-10-18(19(17)20)24(26)27/h1-10,13H,11-12H2,(H,21,22)
InChIKey
ADPNATFFCMVEKN-UHFFFAOYSA-N
Compound name
1-nitro-N-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

360.12225 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12953 182.1
[M+Na]+ 383.11147 187.5
[M-H]- 359.11497 186.5
[M+NH4]+ 378.15607 190.5
[M+K]+ 399.08541 172.3
[M+H-H2O]+ 343.11951 179.4
[M+HCOO]- 405.12045 202.1
[M+CH3COO]- 419.13610 205.1
[M+Na-2H]- 381.09692 194.6
[M]+ 360.12170 179.4
[M]- 360.12280 179.4
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

patents stripe