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

literature stripe

Patent stripe

patents stripe