CID 15983287

Ansofaxine

Structural Information

Molecular Formula
C24H31NO3
SMILES
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(CN(C)C)C3(CCCCC3)O
InChI
InChI=1S/C24H31NO3/c1-18-7-9-20(10-8-18)23(26)28-21-13-11-19(12-14-21)22(17-25(2)3)24(27)15-5-4-6-16-24/h7-14,22,27H,4-6,15-17H2,1-3H3
InChIKey
QKYBZJLEMOZFFU-UHFFFAOYSA-N
Compound name
[4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

33
Patents

381.2304 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.23768 195.3
[M+Na]+ 404.21962 196.8
[M-H]- 380.22312 203.3
[M+NH4]+ 399.26422 207.5
[M+K]+ 420.19356 194.0
[M+H-H2O]+ 364.22766 185.7
[M+HCOO]- 426.22860 212.0
[M+CH3COO]- 440.24425 222.9
[M+Na-2H]- 402.20507 194.1
[M]+ 381.22985 192.8
[M]- 381.23095 192.8
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