CID 3022895

93918-03-7

Structural Information

Molecular Formula
C13H15N3O
SMILES
CC1=CC(=C(C=C1N)N)NC2=CC=C(C=C2)O
InChI
InChI=1S/C13H15N3O/c1-8-6-13(12(15)7-11(8)14)16-9-2-4-10(17)5-3-9/h2-7,16-17H,14-15H2,1H3
InChIKey
VDGHWKVBYSUBOM-UHFFFAOYSA-N
Compound name
4-(2,4-diamino-5-methylanilino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

229.1215 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.128776 151.2
[M+Na]+ 252.110718 159.1
[M-H]- 228.114224 156.7
[M+NH4]+ 247.155323 167.7
[M+K]+ 268.084658 154.5
[M+H-H2O]+ 212.118760 144.0
[M+HCOO]- 274.119701 176.4
[M+CH3COO]- 288.135351 197.4
[M+Na-2H]- 250.096166 155.5
[M]+ 229.12095142 147.1
[M]- 229.12204858 147.1
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

patents stripe