CID 68050

Methylrosaniline

Structural Information

Molecular Formula
C25H31N3O
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C=C3)N(C)C)O
InChI
InChI=1S/C25H31N3O/c1-26(2)22-13-7-19(8-14-22)25(29,20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,29H,1-6H3
InChIKey
QFVDKARCPMTZCS-UHFFFAOYSA-N
Compound name
tris[4-(dimethylamino)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

710
Patents

389.2467 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.25398 197.8
[M+Na]+ 412.23592 201.1
[M-H]- 388.23942 209.7
[M+NH4]+ 407.28052 209.1
[M+K]+ 428.20986 199.0
[M+H-H2O]+ 372.24396 187.2
[M+HCOO]- 434.24490 221.2
[M+CH3COO]- 448.26055 239.0
[M+Na-2H]- 410.22137 199.9
[M]+ 389.24615 199.9
[M]- 389.24725 199.9
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