CID 3052621

Brn 0795527

Structural Information

Molecular Formula
C15H18N2O
SMILES
CCCCN1C(=O)CC2CC3=CC=CC=C3C2=N1
InChI
InChI=1S/C15H18N2O/c1-2-3-8-17-14(18)10-12-9-11-6-4-5-7-13(11)15(12)16-17/h4-7,12H,2-3,8-10H2,1H3
InChIKey
AFRFUYUYVOUXCG-UHFFFAOYSA-N
Compound name
2-butyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 157.0
[M+Na]+ 265.13112 165.6
[M-H]- 241.13462 159.4
[M+NH4]+ 260.17572 176.0
[M+K]+ 281.10506 160.7
[M+H-H2O]+ 225.13916 149.1
[M+HCOO]- 287.14010 174.9
[M+CH3COO]- 301.15575 168.7
[M+Na-2H]- 263.11657 161.1
[M]+ 242.14135 157.3
[M]- 242.14245 157.3
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.