CID 109020

Yf3ptp5q4m

Structural Information

Molecular Formula
C37H55N3
SMILES
CCCN(CCC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CCC)CCC)C3=CC=C(C=C3)N(CCC)CCC
InChI
InChI=1S/C37H55N3/c1-7-25-38(26-8-2)34-19-13-31(14-20-34)37(32-15-21-35(22-16-32)39(27-9-3)28-10-4)33-17-23-36(24-18-33)40(29-11-5)30-12-6/h13-24,37H,7-12,25-30H2,1-6H3
InChIKey
UXBWXMXAXJKBSA-UHFFFAOYSA-N
Compound name
4-[bis[4-(dipropylamino)phenyl]methyl]-N,N-dipropylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

541.4396 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.44688 250.1
[M+Na]+ 564.42882 247.7
[M-H]- 540.43232 260.2
[M+NH4]+ 559.47342 255.3
[M+K]+ 580.40276 243.0
[M+H-H2O]+ 524.43686 236.1
[M+HCOO]- 586.43780 270.8
[M+CH3COO]- 600.45345 273.8
[M+Na-2H]- 562.41427 243.7
[M]+ 541.43905 256.1
[M]- 541.44015 256.1
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