CID 3155421

300389-76-8

Structural Information

Molecular Formula

C₁₇H₁₈N₄O

SMILES

CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O/c1-17(2,3)14-13-12(10-7-5-4-6-8-10)11(9-18)15(19)22-16(13)21-20-14/h4-8,12H,19H2,1-3H3,(H,20,21)

InChIKey

XEVFPPWWORQUPK-UHFFFAOYSA-N

Compound name

6-amino-3-tert-butyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 294.14807 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.155346	175.8
[M+Na]+	317.137288	186.1
[M-H]-	293.140794	178.1
[M+NH4]+	312.181893	187.4
[M+K]+	333.111228	179.7
[M+H-H2O]+	277.145330	160.9
[M+HCOO]-	339.146271	188.7
[M+CH3COO]-	353.161921	184.4
[M+Na-2H]-	315.122736	178.1
[M]+	294.14752142	169.0
[M]-	294.14861858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.