CID 4055021

303060-62-0

Structural Information

Molecular Formula
C24H18N2OS
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC=CS6
InChI
InChI=1S/C24H18N2OS/c1-2-7-17-14-18(12-11-16(17)6-1)20-15-21-19-8-3-4-9-22(19)27-24(26(21)25-20)23-10-5-13-28-23/h1-14,21,24H,15H2
InChIKey
RNLUYTDUBMGOTP-UHFFFAOYSA-N
Compound name
2-naphthalen-2-yl-5-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.11398 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.12126 187.3
[M+Na]+ 405.10320 198.7
[M-H]- 381.10670 198.8
[M+NH4]+ 400.14780 202.3
[M+K]+ 421.07714 192.2
[M+H-H2O]+ 365.11124 179.4
[M+HCOO]- 427.11218 201.5
[M+CH3COO]- 441.12783 198.5
[M+Na-2H]- 403.08865 188.6
[M]+ 382.11343 191.0
[M]- 382.11453 191.0
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.