CID 3038976

Brn 0630045

Structural Information

Molecular Formula
C24H29N3O
SMILES
CC(CCN1CCN2CC3=C(CC2C1)C4=CC=CC=C4N3)(C5=CC=CC=C5)O
InChI
InChI=1S/C24H29N3O/c1-24(28,18-7-3-2-4-8-18)11-12-26-13-14-27-17-23-21(15-19(27)16-26)20-9-5-6-10-22(20)25-23/h2-10,19,25,28H,11-17H2,1H3
InChIKey
GEWZSVLMVIPICA-UHFFFAOYSA-N
Compound name
2-phenyl-4-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.23105 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.238326 193.8
[M+Na]+ 398.220268 198.7
[M-H]- 374.223774 195.1
[M+NH4]+ 393.264873 204.5
[M+K]+ 414.194208 190.1
[M+H-H2O]+ 358.228310 183.2
[M+HCOO]- 420.229251 201.6
[M+CH3COO]- 434.244901 200.1
[M+Na-2H]- 396.205716 196.9
[M]+ 375.23050142 188.7
[M]- 375.23159858 188.7
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.