CID 81246

Einecs 229-852-3

Structural Information

Molecular Formula
C29H33N3O
SMILES
CCNC1=CC=C(C2=CC=CC=C21)C(C3=CC=C(C=C3)N(C)C)(C4=CC=C(C=C4)N(C)C)O
InChI
InChI=1S/C29H33N3O/c1-6-30-28-20-19-27(25-9-7-8-10-26(25)28)29(33,21-11-15-23(16-12-21)31(2)3)22-13-17-24(18-14-22)32(4)5/h7-20,30,33H,6H2,1-5H3
InChIKey
POGFPZCWAIFSIW-UHFFFAOYSA-N
Compound name
bis[4-(dimethylamino)phenyl]-[4-(ethylamino)naphthalen-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

439.26236 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.26964 211.0
[M+Na]+ 462.25158 214.3
[M-H]- 438.25508 221.8
[M+NH4]+ 457.29618 220.4
[M+K]+ 478.22552 209.7
[M+H-H2O]+ 422.25962 199.7
[M+HCOO]- 484.26056 231.8
[M+CH3COO]- 498.27621 246.3
[M+Na-2H]- 460.23703 214.2
[M]+ 439.26181 212.0
[M]- 439.26291 212.0
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