CID 6451235

1-naphthalenemethanol, alpha,alpha-bis(4-(dimethylamino)phenyl)-4-(methylphenylamino)-

Structural Information

Molecular Formula
C34H35N3O
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C4=CC=CC=C43)N(C)C5=CC=CC=C5)O
InChI
InChI=1S/C34H35N3O/c1-35(2)27-19-15-25(16-20-27)34(38,26-17-21-28(22-18-26)36(3)4)32-23-24-33(31-14-10-9-13-30(31)32)37(5)29-11-7-6-8-12-29/h6-24,38H,1-5H3
InChIKey
SOCBTLQQCNFNIE-UHFFFAOYSA-N
Compound name
bis[4-(dimethylamino)phenyl]-[4-(N-methylanilino)naphthalen-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

501.278 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.28528 226.4
[M+Na]+ 524.26722 228.4
[M-H]- 500.27072 240.6
[M+NH4]+ 519.31182 232.7
[M+K]+ 540.24116 224.1
[M+H-H2O]+ 484.27526 212.9
[M+HCOO]- 546.27620 246.6
[M+CH3COO]- 560.29185 233.2
[M+Na-2H]- 522.25267 228.7
[M]+ 501.27745 227.2
[M]- 501.27855 227.2
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