CID 118796470

25p-nbome

Structural Information

Molecular Formula
C21H29NO3
SMILES
CCCC1=CC(=C(C=C1OC)CCNCC2=CC=CC=C2OC)OC
InChI
InChI=1S/C21H29NO3/c1-5-8-16-13-21(25-4)17(14-20(16)24-3)11-12-22-15-18-9-6-7-10-19(18)23-2/h6-7,9-10,13-14,22H,5,8,11-12,15H2,1-4H3
InChIKey
QHEBYIJRKGDFGH-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

343.21475 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.22203 185.2
[M+Na]+ 366.20397 191.3
[M-H]- 342.20747 191.6
[M+NH4]+ 361.24857 198.8
[M+K]+ 382.17791 187.6
[M+H-H2O]+ 326.21201 176.1
[M+HCOO]- 388.21295 208.8
[M+CH3COO]- 402.22860 218.6
[M+Na-2H]- 364.18942 187.0
[M]+ 343.21420 191.8
[M]- 343.21530 191.8
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

patents stripe