CID 380951

Nsc666735

Structural Information

Molecular Formula
C20H22N4O4
SMILES
C1COCC[N+]1(CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-])[O-]
InChI
InChI=1S/C20H22N4O4/c25-23(26)18-8-3-7-17-19(18)20(15-5-1-2-6-16(15)22-17)21-9-4-10-24(27)11-13-28-14-12-24/h1-3,5-8H,4,9-14H2,(H,21,22)
InChIKey
MGPFKRWPUXGULM-UHFFFAOYSA-N
Compound name
1-nitro-N-[3-(4-oxidomorpholin-4-ium-4-yl)propyl]acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

382.1641 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17138 185.6
[M+Na]+ 405.15332 188.5
[M-H]- 381.15682 189.4
[M+NH4]+ 400.19792 193.7
[M+K]+ 421.12726 175.3
[M+H-H2O]+ 365.16136 182.7
[M+HCOO]- 427.16230 200.8
[M+CH3COO]- 441.17795 206.6
[M+Na-2H]- 403.13877 197.8
[M]+ 382.16355 180.4
[M]- 382.16465 180.4
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.