CID 73994

1325-86-6

Structural Information

Molecular Formula
C33H41N3O
SMILES
CCNC1=CC=C(C2=CC=CC=C21)C(C3=CC=C(C=C3)N(CC)CC)(C4=CC=C(C=C4)N(CC)CC)O
InChI
InChI=1S/C33H41N3O/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(37,25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5/h11-24,34,37H,6-10H2,1-5H3
InChIKey
ZDMVLXPCERUWIR-UHFFFAOYSA-N
Compound name
bis[4-(diethylamino)phenyl]-[4-(ethylamino)naphthalen-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

948
Patents

495.32495 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.33223 228.5
[M+Na]+ 518.31417 230.0
[M-H]- 494.31767 238.4
[M+NH4]+ 513.35877 235.5
[M+K]+ 534.28811 224.6
[M+H-H2O]+ 478.32221 216.3
[M+HCOO]- 540.32315 247.8
[M+CH3COO]- 554.33880 257.7
[M+Na-2H]- 516.29962 229.6
[M]+ 495.32440 230.7
[M]- 495.32550 230.7
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