CID 6477926

Nsc693154

Structural Information

Molecular Formula
C19H20N2
SMILES
CN1C2=C(CCCC2C(=C3C=CC=C3)N1)C=C4C=CC=C4
InChI
InChI=1S/C19H20N2/c1-21-19-16(13-14-7-2-3-8-14)11-6-12-17(19)18(20-21)15-9-4-5-10-15/h2-5,7-10,13,17,20H,6,11-12H2,1H3
InChIKey
KXOIIIUPXNBCKF-UHFFFAOYSA-N
Compound name
3-cyclopenta-2,4-dien-1-ylidene-7-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methyl-3a,4,5,6-tetrahydro-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.16266 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16994 169.0
[M+Na]+ 299.15188 175.9
[M-H]- 275.15538 176.1
[M+NH4]+ 294.19648 187.9
[M+K]+ 315.12582 169.0
[M+H-H2O]+ 259.15992 161.2
[M+HCOO]- 321.16086 187.4
[M+CH3COO]- 335.17651 179.8
[M+Na-2H]- 297.13733 165.2
[M]+ 276.16211 163.4
[M]- 276.16321 163.4
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.