CID 145996647

Lazuvapagon

Structural Information

Molecular Formula
C27H32N4O3
SMILES
CC1=NN(C=C1)C2=CC(=C(C=C2)C(=O)N3CC[C@@](CC4=CC=CC=C43)(C)C(=O)N[C@@H](C)CO)C
InChI
InChI=1S/C27H32N4O3/c1-18-15-22(31-13-11-19(2)29-31)9-10-23(18)25(33)30-14-12-27(4,26(34)28-20(3)17-32)16-21-7-5-6-8-24(21)30/h5-11,13,15,20,32H,12,14,16-17H2,1-4H3,(H,28,34)/t20-,27+/m0/s1
InChIKey
BKHSWGKGWGWMSM-CCLHPLFOSA-N
Compound name
(4S)-N-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1-[2-methyl-4-(3-methylpyrazol-1-yl)benzoyl]-3,5-dihydro-2H-1-benzazepine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.24744 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.254716 214.7
[M+Na]+ 483.236658 219.0
[M-H]- 459.240164 221.5
[M+NH4]+ 478.281263 222.3
[M+K]+ 499.210598 218.0
[M+H-H2O]+ 443.244700 203.7
[M+HCOO]- 505.245641 227.0
[M+CH3COO]- 519.261291 220.9
[M+Na-2H]- 481.222106 211.4
[M]+ 460.24689142 211.7
[M]- 460.24798858 211.7
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.