CID 3077685

135264-69-6

Structural Information

Molecular Formula
C26H33N3
SMILES
CC(CC1=CC=CC=C1)NCN2C3=CC=CC=C3N=C4CCCC4C25CCCC5
InChI
InChI=1S/C26H33N3/c1-20(18-21-10-3-2-4-11-21)27-19-29-25-15-6-5-13-24(25)28-23-14-9-12-22(23)26(29)16-7-8-17-26/h2-6,10-11,13,15,20,22,27H,7-9,12,14,16-19H2,1H3
InChIKey
WTFBLKYVVGIGFI-UHFFFAOYSA-N
Compound name
1-phenyl-N-(spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylmethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.26746 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.27474 199.4
[M+Na]+ 410.25668 202.7
[M-H]- 386.26018 207.3
[M+NH4]+ 405.30128 214.2
[M+K]+ 426.23062 197.4
[M+H-H2O]+ 370.26472 189.1
[M+HCOO]- 432.26566 213.5
[M+CH3COO]- 446.28131 206.6
[M+Na-2H]- 408.24213 197.9
[M]+ 387.26691 192.1
[M]- 387.26801 192.1
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.