CID 112028

2-methyl-3,3'-spirobi[3h-naphtho[2,1-b]pyran]

Structural Information

Molecular Formula
C26H18O2
SMILES
CC1=CC2=C(C=CC3=CC=CC=C32)OC14C=CC5=C(O4)C=CC6=CC=CC=C65
InChI
InChI=1S/C26H18O2/c1-17-16-23-21-9-5-3-7-19(21)11-13-25(23)28-26(17)15-14-22-20-8-4-2-6-18(20)10-12-24(22)27-26/h2-16H,1H3
InChIKey
UDFAHPRGDYRYPU-UHFFFAOYSA-N
Compound name
2'-methyl-3,3'-spirobi[benzo[f]chromene]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

362.13068 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13796 185.9
[M+Na]+ 385.11990 196.8
[M-H]- 361.12340 196.5
[M+NH4]+ 380.16450 201.4
[M+K]+ 401.09384 191.6
[M+H-H2O]+ 345.12794 173.5
[M+HCOO]- 407.12888 201.1
[M+CH3COO]- 421.14453 196.8
[M+Na-2H]- 383.10535 196.3
[M]+ 362.13013 187.7
[M]- 362.13123 187.7
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