CID 308910

Nsc211030

Structural Information

Molecular Formula
C15H18N2O5
SMILES
COC1C(C2C(COC3=CC=CC=C3O2)OC1OC)NC#N
InChI
InChI=1S/C15H18N2O5/c1-18-14-12(17-8-16)13-11(22-15(14)19-2)7-20-9-5-3-4-6-10(9)21-13/h3-6,11-15,17H,7H2,1-2H3
InChIKey
UVUYLHDTRJMIOD-UHFFFAOYSA-N
Compound name
(2,3-dimethoxy-1,2,3,4a,5,11a-hexahydropyrano[3,2-b][1,5]benzodioxepin-1-yl)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.12158 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12886 160.9
[M+Na]+ 329.11080 168.8
[M-H]- 305.11430 167.2
[M+NH4]+ 324.15540 171.7
[M+K]+ 345.08474 171.2
[M+H-H2O]+ 289.11884 148.7
[M+HCOO]- 351.11978 173.5
[M+CH3COO]- 365.13543 170.5
[M+Na-2H]- 327.09625 167.6
[M]+ 306.12103 156.7
[M]- 306.12213 156.7
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.