CID 13294620

93464-35-8

Structural Information

Molecular Formula
C23H33N3
SMILES
C1CCN(CC1)CCN2C3=CC=CC=C3N=C4CCCC4C25CCCC5
InChI
InChI=1S/C23H33N3/c1-6-15-25(16-7-1)17-18-26-22-12-3-2-10-21(22)24-20-11-8-9-19(20)23(26)13-4-5-14-23/h2-3,10,12,19H,1,4-9,11,13-18H2
InChIKey
CVEFJTDIBXOIRO-UHFFFAOYSA-N
Compound name
5-(2-piperidin-1-ylethyl)spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.26746 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.27474 191.3
[M+Na]+ 374.25668 194.0
[M-H]- 350.26018 196.9
[M+NH4]+ 369.30128 206.1
[M+K]+ 390.23062 188.3
[M+H-H2O]+ 334.26472 179.2
[M+HCOO]- 396.26566 200.8
[M+CH3COO]- 410.28131 197.7
[M+Na-2H]- 372.24213 187.9
[M]+ 351.26691 180.3
[M]- 351.26801 180.3
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.