CID 3050567

66691-76-7

Structural Information

Molecular Formula
C25H29N
SMILES
CC1C2C3=CC=CC=C3C4CC2(CN1CC5CCCC5)C6=CC=CC=C46
InChI
InChI=1S/C25H29N/c1-17-24-21-12-5-4-10-19(21)22-14-25(24,23-13-7-6-11-20(22)23)16-26(17)15-18-8-2-3-9-18/h4-7,10-13,17-18,22,24H,2-3,8-9,14-16H2,1H3
InChIKey
XQVXKJCFKPQZOV-UHFFFAOYSA-N
Compound name
3-(cyclopentylmethyl)-4-methyl-3-azapentacyclo[10.6.1.01,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.23 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.23728 190.7
[M+Na]+ 366.21922 197.0
[M-H]- 342.22272 200.4
[M+NH4]+ 361.26382 212.5
[M+K]+ 382.19316 189.3
[M+H-H2O]+ 326.22726 183.9
[M+HCOO]- 388.22820 204.8
[M+CH3COO]- 402.24385 200.0
[M+Na-2H]- 364.20467 186.9
[M]+ 343.22945 186.1
[M]- 343.23055 186.1
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

No patent data available for this compound.