CID 3038389

37013-44-8

Structural Information

Molecular Formula
C30H48N4O2
SMILES
CC/C(=C(/CC)\C1=CC(=C(C=C1)O)CN(C)CCN(C)C)/C2=CC(=C(C=C2)O)CN(C)CCN(C)C
InChI
InChI=1S/C30H48N4O2/c1-9-27(23-11-13-29(35)25(19-23)21-33(7)17-15-31(3)4)28(10-2)24-12-14-30(36)26(20-24)22-34(8)18-16-32(5)6/h11-14,19-20,35-36H,9-10,15-18,21-22H2,1-8H3/b28-27+
InChIKey
NNXUBNBUXKNKGU-BYYHNAKLSA-N
Compound name
2-[[2-(dimethylamino)ethyl-methylamino]methyl]-4-[(E)-4-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]-4-hydroxyphenyl]hex-3-en-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.37772 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.38500 234.6
[M+Na]+ 519.36694 233.6
[M-H]- 495.37044 242.1
[M+NH4]+ 514.41154 241.6
[M+K]+ 535.34088 232.7
[M+H-H2O]+ 479.37498 223.5
[M+HCOO]- 541.37592 254.9
[M+CH3COO]- 555.39157 266.8
[M+Na-2H]- 517.35239 226.8
[M]+ 496.37717 240.0
[M]- 496.37827 240.0
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.