CID 391050

Nsc689582

Structural Information

Molecular Formula
C15H17N3O2
SMILES
CN1CC2=C(N=C3C=C4C(=CC3=C2)OCCO4)N(C1)C
InChI
InChI=1S/C15H17N3O2/c1-17-8-11-5-10-6-13-14(20-4-3-19-13)7-12(10)16-15(11)18(2)9-17/h5-7H,3-4,8-9H2,1-2H3
InChIKey
FAAFQMAHYUCBMN-UHFFFAOYSA-N
Compound name
4,6-dimethyl-13,16-dioxa-2,4,6-triazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3(8),9,11,17-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13208 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13936 164.1
[M+Na]+ 294.12130 172.8
[M-H]- 270.12480 166.8
[M+NH4]+ 289.16590 176.7
[M+K]+ 310.09524 170.2
[M+H-H2O]+ 254.12934 153.6
[M+HCOO]- 316.13028 174.4
[M+CH3COO]- 330.14593 174.2
[M+Na-2H]- 292.10675 171.5
[M]+ 271.13153 163.3
[M]- 271.13263 163.3
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.