CID 3141762

361365-99-3

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H14N4O2/c1-2-11-13-12(8-3-5-9(20)6-4-8)10(7-16)14(17)21-15(13)19-18-11/h3-6,12,20H,2,17H2,1H3,(H,18,19)
InChIKey
RYEGTMJIWLVIJY-UHFFFAOYSA-N
Compound name
6-amino-3-ethyl-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

282.11166 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11894 167.1
[M+Na]+ 305.10088 178.2
[M-H]- 281.10438 168.6
[M+NH4]+ 300.14548 178.6
[M+K]+ 321.07482 171.6
[M+H-H2O]+ 265.10892 152.4
[M+HCOO]- 327.10986 180.9
[M+CH3COO]- 341.12551 176.1
[M+Na-2H]- 303.08633 168.9
[M]+ 282.11111 160.4
[M]- 282.11221 160.4
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