CID 363117

Nsc627685

Structural Information

Molecular Formula
C24H17N3O
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC4=C5C6=CC=CC=C6NC5=CN=C34
InChI
InChI=1S/C24H17N3O/c1-2-6-15(7-3-1)14-28-16-10-11-20-18(12-16)23-24(27-20)22-17-8-4-5-9-19(17)26-21(22)13-25-23/h1-13,26-27H,14H2
InChIKey
IIPOBNNPOSRPLC-UHFFFAOYSA-N
Compound name
16-phenylmethoxy-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.13718 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.14446 183.3
[M+Na]+ 386.12640 195.8
[M-H]- 362.12990 189.3
[M+NH4]+ 381.17100 197.9
[M+K]+ 402.10034 185.7
[M+H-H2O]+ 346.13444 173.7
[M+HCOO]- 408.13538 201.8
[M+CH3COO]- 422.15103 193.9
[M+Na-2H]- 384.11185 189.9
[M]+ 363.13663 187.3
[M]- 363.13773 187.3
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

No patent data available for this compound.