CID 3077044

Brn 4333507

Structural Information

Molecular Formula
C25H31N3
SMILES
CC1=CC(=CC=C1)NCCN2C3=CC=CC=C3N=C4CCCC4C25CCCC5
InChI
InChI=1S/C25H31N3/c1-19-8-6-9-20(18-19)26-16-17-28-24-13-3-2-11-23(24)27-22-12-7-10-21(22)25(28)14-4-5-15-25/h2-3,6,8-9,11,13,18,21,26H,4-5,7,10,12,14-17H2,1H3
InChIKey
SWFAMVNGEDXMHN-UHFFFAOYSA-N
Compound name
3-methyl-N-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.2518 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.25908 195.4
[M+Na]+ 396.24102 205.4
[M+NH4]+ 391.28562 205.1
[M+K]+ 412.21496 198.8
[M-H]- 372.24452 200.8
[M+Na-2H]- 394.22647 201.5
[M]+ 373.25125 198.5
[M]- 373.25235 198.5
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.