CID 377156

Nsc658358

Structural Information

Molecular Formula
C19H18N4O2
SMILES
COC1=CC2=C(C=C1)N3C=NC4=C3C5=C(C=C4)N(CCN=C25)CCO
InChI
InChI=1S/C19H18N4O2/c1-25-12-2-4-15-13(10-12)18-17-16(22(8-9-24)7-6-20-18)5-3-14-19(17)23(15)11-21-14/h2-5,10-11,24H,6-9H2,1H3
InChIKey
HWQBWYFNCCFWGJ-UHFFFAOYSA-N
Compound name
2-(4-methoxy-8,10,15,18-tetrazapentacyclo[9.7.2.02,7.08,20.014,19]icosa-1(18),2(7),3,5,9,11(20),12,14(19)-octaen-15-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14297 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15025 182.1
[M+Na]+ 357.13219 194.0
[M-H]- 333.13569 184.7
[M+NH4]+ 352.17679 196.3
[M+K]+ 373.10613 190.1
[M+H-H2O]+ 317.14023 172.8
[M+HCOO]- 379.14117 196.6
[M+CH3COO]- 393.15682 192.1
[M+Na-2H]- 355.11764 189.6
[M]+ 334.14242 186.7
[M]- 334.14352 186.7
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.