CID 3076750

132411-88-2

Structural Information

Molecular Formula
C27H26N4
SMILES
CN(C)CCCN1C2=C(C=CC3=CC=CC=C32)C(=NC4=C1N=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H26N4/c1-30(2)18-9-19-31-26-22-13-7-6-10-20(22)15-16-23(26)25(21-11-4-3-5-12-21)29-24-14-8-17-28-27(24)31/h3-8,10-17H,9,18-19H2,1-2H3
InChIKey
PHIISZFJAMWANM-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(10-phenyl-2,4,9-triazatetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3(8),4,6,9,12,14,16,18-nonaen-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.21576 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.22304 204.8
[M+Na]+ 429.20498 220.7
[M+NH4]+ 424.24958 213.0
[M+K]+ 445.17892 210.6
[M-H]- 405.20848 211.2
[M+Na-2H]- 427.19043 213.3
[M]+ 406.21521 209.3
[M]- 406.21631 209.3
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.