CID 421182

57897-49-1

Structural Information

Molecular Formula
C30H33NO3
SMILES
CC1(C(=C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C
InChI
InChI=1S/C30H33NO3/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31/h4-6,9-16,21H,7-8,17-20H2,1-3H3
InChIKey
TXMQEVSQDSNZNR-UHFFFAOYSA-N
Compound name
1-[2-[4-(7-methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

455.24603 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.25331 216.3
[M+Na]+ 478.23525 221.8
[M-H]- 454.23875 228.3
[M+NH4]+ 473.27985 226.1
[M+K]+ 494.20919 216.6
[M+H-H2O]+ 438.24329 204.0
[M+HCOO]- 500.24423 231.8
[M+CH3COO]- 514.25988 224.2
[M+Na-2H]- 476.22070 214.8
[M]+ 455.24548 217.6
[M]- 455.24658 217.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe