CID 104954

124489-20-9

Structural Information

Molecular Formula
C13H12N4O
SMILES
CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1NO
InChI
InChI=1S/C13H12N4O/c1-17-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(17)16-18/h2-8,18H,1H3,(H,14,15,16)
InChIKey
DCVWQAGUQFBCTF-UHFFFAOYSA-N
Compound name
N-(1-methyl-6-phenylimidazo[4,5-b]pyridin-2-yl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

70
References

634
Patents

240.1011 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.108376 151.8
[M+Na]+ 263.090318 162.7
[M-H]- 239.093824 155.5
[M+NH4]+ 258.134923 167.5
[M+K]+ 279.064258 157.2
[M+H-H2O]+ 223.098360 142.9
[M+HCOO]- 285.099301 174.3
[M+CH3COO]- 299.114951 164.4
[M+Na-2H]- 261.075766 159.7
[M]+ 240.10055142 153.2
[M]- 240.10164858 153.2
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

patents stripe