CID 105268

66104-36-7

Structural Information

Molecular Formula
C12H13N5O
SMILES
COC1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N
InChI
InChI=1S/C12H13N5O/c1-18-9-4-2-8(3-5-9)16-17-10-6-7-11(13)15-12(10)14/h2-7H,1H3,(H4,13,14,15)
InChIKey
ZYFQLPWMMMZNRY-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)diazenyl]pyridine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

243.11201 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11929 152.6
[M+Na]+ 266.10123 160.7
[M-H]- 242.10473 160.6
[M+NH4]+ 261.14583 168.6
[M+K]+ 282.07517 158.0
[M+H-H2O]+ 226.10927 143.1
[M+HCOO]- 288.11021 182.6
[M+CH3COO]- 302.12586 206.7
[M+Na-2H]- 264.08668 160.3
[M]+ 243.11146 152.3
[M]- 243.11256 152.3
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