CID 3565422

58710-56-8

Structural Information

Molecular Formula
C17H17N3
SMILES
CN1C(C2CCC3=CC=CC=C3C2=N1)C4=CC=NC=C4
InChI
InChI=1S/C17H17N3/c1-20-17(13-8-10-18-11-9-13)15-7-6-12-4-2-3-5-14(12)16(15)19-20/h2-5,8-11,15,17H,6-7H2,1H3
InChIKey
AVLMHEMRSUQVEX-UHFFFAOYSA-N
Compound name
2-methyl-3-pyridin-4-yl-3,3a,4,5-tetrahydrobenzo[g]indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.14224 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14952 162.6
[M+Na]+ 286.13146 171.4
[M-H]- 262.13496 166.8
[M+NH4]+ 281.17606 178.8
[M+K]+ 302.10540 165.0
[M+H-H2O]+ 246.13950 152.4
[M+HCOO]- 308.14044 179.3
[M+CH3COO]- 322.15609 173.5
[M+Na-2H]- 284.11691 167.4
[M]+ 263.14169 160.6
[M]- 263.14279 160.6
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