CID 3034094

Nitroacronycine

Structural Information

Molecular Formula
C20H18N2O5
SMILES
CC1(C=CC2=C3C(=C(C(=C2O1)[N+](=O)[O-])OC)C(=O)C4=CC=CC=C4N3C)C
InChI
InChI=1S/C20H18N2O5/c1-20(2)10-9-12-15-14(19(26-4)16(22(24)25)18(12)27-20)17(23)11-7-5-6-8-13(11)21(15)3/h5-10H,1-4H3
InChIKey
RRQGPGYDNJCTPJ-UHFFFAOYSA-N
Compound name
6-methoxy-3,3,12-trimethyl-5-nitropyrano[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.12158 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12886 183.7
[M+Na]+ 389.11080 194.8
[M-H]- 365.11430 190.6
[M+NH4]+ 384.15540 198.1
[M+K]+ 405.08474 187.7
[M+H-H2O]+ 349.11884 178.5
[M+HCOO]- 411.11978 202.4
[M+CH3COO]- 425.13543 215.5
[M+Na-2H]- 387.09625 193.7
[M]+ 366.12103 189.7
[M]- 366.12213 189.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.