CID 163148

67707-04-4

Structural Information

Molecular Formula
C43H41N3
SMILES
CCCCN1C2=C(C=C(C=C2)C(C3=CC=C(C=C3)N(C)C4=CC=CC=C4)C5=CC=C(C=C5)N(C)C6=CC=CC=C6)C7=CC=CC=C71
InChI
InChI=1S/C43H41N3/c1-4-5-30-46-41-19-13-12-18-39(41)40-31-34(24-29-42(40)46)43(32-20-25-37(26-21-32)44(2)35-14-8-6-9-15-35)33-22-27-38(28-23-33)45(3)36-16-10-7-11-17-36/h6-29,31,43H,4-5,30H2,1-3H3
InChIKey
UMAFXEHJBLLIRG-UHFFFAOYSA-N
Compound name
4-[(9-butylcarbazol-3-yl)-[4-(N-methylanilino)phenyl]methyl]-N-methyl-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

198
Patents

599.3301 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.33738 253.7
[M+Na]+ 622.31932 255.6
[M-H]- 598.32282 269.3
[M+NH4]+ 617.36392 256.6
[M+K]+ 638.29326 246.9
[M+H-H2O]+ 582.32736 237.4
[M+HCOO]- 644.32830 271.6
[M+CH3COO]- 658.34395 258.0
[M+Na-2H]- 620.30477 251.2
[M]+ 599.32955 254.9
[M]- 599.33065 254.9
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