CID 132327

Dat 582

Structural Information

Molecular Formula
C22H27N5O
SMILES
CC1=CC(=CC=C1)CN2CCN(C[C@H](C2)NC(=O)C3=NNC4=CC=CC=C43)C
InChI
InChI=1S/C22H27N5O/c1-16-6-5-7-17(12-16)13-27-11-10-26(2)14-18(15-27)23-22(28)21-19-8-3-4-9-20(19)24-25-21/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,23,28)(H,24,25)/t18-/m1/s1
InChIKey
KDCVCMJTEQZMEL-GOSISDBHSA-N
Compound name
N-[(6R)-1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

25
Patents

377.22156 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.22884 195.2
[M+Na]+ 400.21078 206.1
[M+NH4]+ 395.25538 200.5
[M+K]+ 416.18472 201.8
[M-H]- 376.21428 198.7
[M+Na-2H]- 398.19623 201.2
[M]+ 377.22101 197.6
[M]- 377.22211 197.6
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

patents stripe