CID 2839271

2,7-diamino-4-(pyridin-3-yl)-4h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C15H12N4O
SMILES
C1=CC(=CN=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N
InChI
InChI=1S/C15H12N4O/c16-7-12-14(9-2-1-5-19-8-9)11-4-3-10(17)6-13(11)20-15(12)18/h1-6,8,14H,17-18H2
InChIKey
RERQDENPVRSMPR-UHFFFAOYSA-N
Compound name
2,7-diamino-4-pyridin-3-yl-4H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

14
Patents

264.1011 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.108376 165.7
[M+Na]+ 287.090318 176.5
[M-H]- 263.093824 170.0
[M+NH4]+ 282.134923 177.9
[M+K]+ 303.064258 170.3
[M+H-H2O]+ 247.098360 150.5
[M+HCOO]- 309.099301 182.8
[M+CH3COO]- 323.114951 175.3
[M+Na-2H]- 285.075766 170.6
[M]+ 264.10055142 157.9
[M]- 264.10164858 157.9
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