CID 3036546

120280-37-7

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CC1(C=C(C2=C(O1)C=CC(=C2)C#N)C3=CC=CC=[N+]3[O-])C
InChI
InChI=1S/C17H14N2O2/c1-17(2)10-14(15-5-3-4-8-19(15)20)13-9-12(11-18)6-7-16(13)21-17/h3-10H,1-2H3
InChIKey
PQVILGHAVGQHRP-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)chromene-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

28
Patents

278.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.112806 169.3
[M+Na]+ 301.094748 181.1
[M-H]- 277.098254 173.7
[M+NH4]+ 296.139353 183.0
[M+K]+ 317.068688 169.9
[M+H-H2O]+ 261.102790 158.7
[M+HCOO]- 323.103731 184.6
[M+CH3COO]- 337.119381 202.5
[M+Na-2H]- 299.080196 176.6
[M]+ 278.10498142 163.4
[M]- 278.10607858 163.4
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

patents stripe