CID 381153

Nsc667471

Structural Information

Molecular Formula
C18H17NO6
SMILES
COC1=C(C=C(C=C1)C2C(=CC3=C(O2)C(=CC=C3)OC)[N+](=O)[O-])OC
InChI
InChI=1S/C18H17NO6/c1-22-14-8-7-12(10-16(14)24-3)17-13(19(20)21)9-11-5-4-6-15(23-2)18(11)25-17/h4-10,17H,1-3H3
InChIKey
XIYCSWUAXBKLHP-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-8-methoxy-3-nitro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1056 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.11288 178.1
[M+Na]+ 366.09482 185.2
[M-H]- 342.09832 186.8
[M+NH4]+ 361.13942 190.3
[M+K]+ 382.06876 180.1
[M+H-H2O]+ 326.10286 173.6
[M+HCOO]- 388.10380 199.9
[M+CH3COO]- 402.11945 208.2
[M+Na-2H]- 364.08027 185.0
[M]+ 343.10505 182.7
[M]- 343.10615 182.7
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.