CID 10084

Pararosaniline base

Structural Information

Molecular Formula
C19H19N3O
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)N)(C3=CC=C(C=C3)N)O)N
InChI
InChI=1S/C19H19N3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H,20-22H2
InChIKey
KRVRUAYUNOQMOV-UHFFFAOYSA-N
Compound name
tris(4-aminophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

452
Patents

305.1528 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.160076 171.4
[M+Na]+ 328.142018 177.3
[M-H]- 304.145524 178.7
[M+NH4]+ 323.186623 183.6
[M+K]+ 344.115958 171.1
[M+H-H2O]+ 288.150060 162.8
[M+HCOO]- 350.151001 193.6
[M+CH3COO]- 364.166651 210.3
[M+Na-2H]- 326.127466 175.9
[M]+ 305.15225142 165.1
[M]- 305.15334858 165.1
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

patents stripe