CID 457711

Makaluvamine d

Structural Information

Molecular Formula
C18H17N3O2
SMILES
C1CN=C2C=C(C(=C3C2=C1C=N3)O)NCCC4=CC=C(C=C4)O
InChI
InChI=1S/C18H17N3O2/c22-13-3-1-11(2-4-13)5-7-20-15-9-14-16-12(6-8-19-14)10-21-17(16)18(15)23/h1-4,9-10,20,22-23H,5-8H2
InChIKey
ZNESWGWELCKEMO-UHFFFAOYSA-N
Compound name
10-[2-(4-hydroxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

59
Patents

307.13208 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 169.4
[M+Na]+ 330.12130 178.5
[M-H]- 306.12480 172.9
[M+NH4]+ 325.16590 184.3
[M+K]+ 346.09524 171.9
[M+H-H2O]+ 290.12934 160.8
[M+HCOO]- 352.13028 188.6
[M+CH3COO]- 366.14593 180.1
[M+Na-2H]- 328.10675 176.1
[M]+ 307.13153 171.3
[M]- 307.13263 171.3
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.