CID 24844335

91623-81-3

Structural Information

Molecular Formula
C13H17N3
SMILES
CC1=C2CCCCC2=C3C(=NN(C3=N1)C)C
InChI
InChI=1S/C13H17N3/c1-8-10-6-4-5-7-11(10)12-9(2)15-16(3)13(12)14-8/h4-7H2,1-3H3
InChIKey
HNUBLABRYGLYJR-UHFFFAOYSA-N
Compound name
1,3,5-trimethyl-6,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 150.3
[M+Na]+ 238.131458 161.6
[M-H]- 214.134964 152.3
[M+NH4]+ 233.176063 169.6
[M+K]+ 254.105398 156.8
[M+H-H2O]+ 198.139500 142.2
[M+HCOO]- 260.140441 168.5
[M+CH3COO]- 274.156091 163.0
[M+Na-2H]- 236.116906 155.4
[M]+ 215.14169142 151.5
[M]- 215.14278858 151.5
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.