CID 3317861

303060-23-3

Structural Information

Molecular Formula
C27H21ClN2O
SMILES
CC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C=CC(=C6)Cl
InChI
InChI=1S/C27H21ClN2O/c1-17-6-8-19(9-7-17)27-30-25(23-15-22(28)12-13-26(23)31-27)16-24(29-30)21-11-10-18-4-2-3-5-20(18)14-21/h2-15,25,27H,16H2,1H3
InChIKey
CZQZDTLCAQYKNX-UHFFFAOYSA-N
Compound name
9-chloro-5-(4-methylphenyl)-2-naphthalen-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

424.13425 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.141526 205.9
[M+Na]+ 447.123468 215.9
[M-H]- 423.126974 215.6
[M+NH4]+ 442.168073 216.9
[M+K]+ 463.097408 207.2
[M+H-H2O]+ 407.131510 193.7
[M+HCOO]- 469.132451 215.4
[M+CH3COO]- 483.148101 214.6
[M+Na-2H]- 445.108916 207.0
[M]+ 424.13370142 207.8
[M]- 424.13479858 207.8
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.