CID 13294614

93464-29-0

Structural Information

Molecular Formula
C23H33N3
SMILES
C1CCC2(C1)C3CCCC3=NC4=CC=CC=C4N2CCCN5CCCC5
InChI
InChI=1S/C23H33N3/c1-2-12-22-21(10-1)24-20-11-7-9-19(20)23(13-3-4-14-23)26(22)18-8-17-25-15-5-6-16-25/h1-2,10,12,19H,3-9,11,13-18H2
InChIKey
XDXJJRHIFHYRBA-UHFFFAOYSA-N
Compound name
5-(3-pyrrolidin-1-ylpropyl)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 191.6
[M+Na]+ 374.25668 195.2
[M-H]- 350.26018 198.3
[M+NH4]+ 369.30128 208.3
[M+K]+ 390.23062 189.4
[M+H-H2O]+ 334.26472 180.4
[M+HCOO]- 396.26566 203.5
[M+CH3COO]- 410.28131 198.9
[M+Na-2H]- 372.24213 186.3
[M]+ 351.26691 183.1
[M]- 351.26801 183.1
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.