CID 3606619

364627-94-1

Structural Information

Molecular Formula
C17H17BrN4O
SMILES
CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=CC=C3)Br
InChI
InChI=1S/C17H17BrN4O/c1-17(2,3)14-13-12(9-5-4-6-10(18)7-9)11(8-19)15(20)23-16(13)22-21-14/h4-7,12H,20H2,1-3H3,(H,21,22)
InChIKey
WQOHVEUWLNPAEG-UHFFFAOYSA-N
Compound name
6-amino-4-(3-bromophenyl)-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.05856 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.06584 184.8
[M+Na]+ 395.04778 198.1
[M-H]- 371.05128 188.4
[M+NH4]+ 390.09238 197.1
[M+K]+ 411.02172 184.2
[M+H-H2O]+ 355.05582 175.7
[M+HCOO]- 417.05676 197.8
[M+CH3COO]- 431.07241 194.4
[M+Na-2H]- 393.03323 187.0
[M]+ 372.05801 195.2
[M]- 372.05911 195.2
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.