CID 3077056

Brn 4334659

Structural Information

Molecular Formula
C24H29N3O
SMILES
C1CCC2(C1)C3CCCC3=NC4=CC=CC=C4N2CCNC5=CC=C(C=C5)O
InChI
InChI=1S/C24H29N3O/c28-19-12-10-18(11-13-19)25-16-17-27-23-9-2-1-7-22(23)26-21-8-5-6-20(21)24(27)14-3-4-15-24/h1-2,7,9-13,20,25,28H,3-6,8,14-17H2
InChIKey
FUUGJDYDUHCCKB-UHFFFAOYSA-N
Compound name
4-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.23105 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.23833 193.9
[M+Na]+ 398.22027 203.2
[M+NH4]+ 393.26487 202.9
[M+K]+ 414.19421 197.6
[M-H]- 374.22377 198.5
[M+Na-2H]- 396.20572 199.4
[M]+ 375.23050 196.6
[M]- 375.23160 196.6
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.