CID 488179

1-[4-(dimethylamino)butylamino]-3-(methyl[?]yl)propan-2-ol

Structural Information

Molecular Formula
C24H38N4O
SMILES
CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)CC(CNCCCCN(C)C)O
InChI
InChI=1S/C24H38N4O/c1-18-9-10-22-21(15-18)20-7-6-8-23-24(20)28(22)14-13-27(23)17-19(29)16-25-11-4-5-12-26(2)3/h9-10,15,19,23,25,29H,4-8,11-14,16-17H2,1-3H3
InChIKey
JBLLQXTWCOJPEY-UHFFFAOYSA-N
Compound name
1-[4-(dimethylamino)butylamino]-3-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.30457 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.31185 200.9
[M+Na]+ 421.29379 203.2
[M-H]- 397.29729 201.8
[M+NH4]+ 416.33839 213.7
[M+K]+ 437.26773 198.0
[M+H-H2O]+ 381.30183 191.1
[M+HCOO]- 443.30277 213.4
[M+CH3COO]- 457.31842 234.6
[M+Na-2H]- 419.27924 200.9
[M]+ 398.30402 201.7
[M]- 398.30512 201.7
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

No patent data available for this compound.