CID 135744264

Brn 5985239

Structural Information

Molecular Formula
C14H13N5O2
SMILES
CC1=NN=C2N1N=CC3=C2NC4=CC(=C(C=C43)OC)OC
InChI
InChI=1S/C14H13N5O2/c1-7-17-18-14-13-9(6-15-19(7)14)8-4-11(20-2)12(21-3)5-10(8)16-13/h4-6,16H,1-3H3
InChIKey
IWSOLIMBBUFRSM-UHFFFAOYSA-N
Compound name
12,13-dimethoxy-5-methyl-3,4,6,7,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10,12,14-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.10693 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.114206 165.4
[M+Na]+ 306.096148 180.3
[M-H]- 282.099654 166.6
[M+NH4]+ 301.140753 181.4
[M+K]+ 322.070088 174.5
[M+H-H2O]+ 266.104190 156.9
[M+HCOO]- 328.105131 184.1
[M+CH3COO]- 342.120781 177.7
[M+Na-2H]- 304.081596 171.1
[M]+ 283.10638142 173.3
[M]- 283.10747858 173.3
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.