CID 44150833

85586-74-9

Structural Information

Molecular Formula
C60H68N6O2
SMILES
CC1=C(C=CC(=C1)N(C2=CC=C(C=C2)N(C3=CC(=C(C=C3)C(C4=CC=C(C=C4)N(C)C)(C5=CC=C(C=C5)N(C)C)O)C)C(=C)C)C(=C)C)C(C6=CC=C(C=C6)N(C)C)(C7=CC=C(C=C7)N(C)C)O
InChI
InChI=1S/C60H68N6O2/c1-41(2)65(55-35-37-57(43(5)39-55)59(67,45-15-23-49(24-16-45)61(7)8)46-17-25-50(26-18-46)62(9)10)53-31-33-54(34-32-53)66(42(3)4)56-36-38-58(44(6)40-56)60(68,47-19-27-51(28-20-47)63(11)12)48-21-29-52(30-22-48)64(13)14/h15-40,67-68H,1,3H2,2,4-14H3
InChIKey
LCQPRJPZUHHSIY-UHFFFAOYSA-N
Compound name
[4-[4-[4-[bis[4-(dimethylamino)phenyl]-hydroxymethyl]-3-methyl-N-prop-1-en-2-ylanilino]-N-prop-1-en-2-ylanilino]-2-methylphenyl]-bis[4-(dimethylamino)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

904.5404 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 905.54768 303.6
[M+Na]+ 927.52962 296.1
[M-H]- 903.53312 323.1
[M+NH4]+ 922.57422 291.4
[M+K]+ 943.50356 298.2
[M+H-H2O]+ 887.53766 285.4
[M+HCOO]- 949.53860 316.5
[M+CH3COO]- 963.55425 341.9
[M+Na-2H]- 925.51507 297.3
[M]+ 904.53985 305.3
[M]- 904.54095 305.3
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

No patent data available for this compound.