CID 20234985

91651-64-8

Structural Information

Molecular Formula
C13H17N3
SMILES
CC1CCC2=C3C(=NN(C3=NC=C2C1)C)C
InChI
InChI=1S/C13H17N3/c1-8-4-5-11-10(6-8)7-14-13-12(11)9(2)15-16(13)3/h7-8H,4-6H2,1-3H3
InChIKey
CKHQKTYTXUTTLN-UHFFFAOYSA-N
Compound name
1,3,7-trimethyl-6,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 150.3
[M+Na]+ 238.13146 161.6
[M-H]- 214.13496 152.3
[M+NH4]+ 233.17606 169.6
[M+K]+ 254.10540 156.8
[M+H-H2O]+ 198.13950 142.2
[M+HCOO]- 260.14044 168.5
[M+CH3COO]- 274.15609 163.0
[M+Na-2H]- 236.11691 155.4
[M]+ 215.14169 151.5
[M]- 215.14279 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

patents stripe