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]+ 215.092736 144.0
[M+Na]+ 237.074678 155.9
[M-H]- 213.078184 145.5
[M+NH4]+ 232.119283 162.2
[M+K]+ 253.048618 150.9
[M+H-H2O]+ 197.082720 136.2
[M+HCOO]- 259.083661 165.6
[M+CH3COO]- 273.099311 157.1
[M+Na-2H]- 235.060126 153.6
[M]+ 214.08491142 146.1
[M]- 214.08600858 146.1
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.