CID 164608865

Chembl4847121

Structural Information

Molecular Formula
C19H22N4O7
SMILES
CC1=C2C(=CC(=C1O)[N+](=O)[O-])C=C(C(=O)O2)C(=O)NC3CCN(CC3)C(=O)N(C)C
InChI
InChI=1S/C19H22N4O7/c1-10-15(24)14(23(28)29)9-11-8-13(18(26)30-16(10)11)17(25)20-12-4-6-22(7-5-12)19(27)21(2)3/h8-9,12,24H,4-7H2,1-3H3,(H,20,25)
InChIKey
HWQNIMQRSIKXFY-UHFFFAOYSA-N
Compound name
4-[(7-hydroxy-8-methyl-6-nitro-2-oxochromene-3-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.14883 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.15611 193.2
[M+Na]+ 441.13805 196.5
[M-H]- 417.14155 199.8
[M+NH4]+ 436.18265 199.8
[M+K]+ 457.11199 192.3
[M+H-H2O]+ 401.14609 188.1
[M+HCOO]- 463.14703 210.1
[M+CH3COO]- 477.16268 226.8
[M+Na-2H]- 439.12350 196.1
[M]+ 418.14828 192.0
[M]- 418.14938 192.0
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.