CID 104998

73341-53-4

Structural Information

Molecular Formula
C11H10N4O
SMILES
CC1=CC=CN2C1=NC3=C2N=C(C=C3)NO
InChI
InChI=1S/C11H10N4O/c1-7-3-2-6-15-10(7)12-8-4-5-9(14-16)13-11(8)15/h2-6,16H,1H3,(H,13,14)
InChIKey
XGRLYZZMBWLSNE-UHFFFAOYSA-N
Compound name
N-(10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-4-yl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

214.08546 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09274 144.4
[M+Na]+ 237.07468 159.0
[M+NH4]+ 232.11928 152.7
[M+K]+ 253.04862 154.1
[M-H]- 213.07818 146.2
[M+Na-2H]- 235.06013 151.1
[M]+ 214.08491 146.9
[M]- 214.08601 146.9
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.