CID 20234983

91623-77-7

Structural Information

Molecular Formula
C13H17N3
SMILES
CC1CCC2=CN=C3C(=C2C1)C(=NN3C)C
InChI
InChI=1S/C13H17N3/c1-8-4-5-10-7-14-13-12(11(10)6-8)9(2)15-16(13)3/h7-8H,4-6H2,1-3H3
InChIKey
GCAAZSZRBPPJJY-UHFFFAOYSA-N
Compound name
1,3,8-trimethyl-6,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

215.14224 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 149.3
[M+Na]+ 238.13146 164.3
[M+NH4]+ 233.17606 158.7
[M+K]+ 254.10540 158.2
[M-H]- 214.13496 151.5
[M+Na-2H]- 236.11691 154.7
[M]+ 215.14169 152.2
[M]- 215.14279 152.2
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

patents stripe