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]+ 461.25472 214.7
[M+Na]+ 483.23666 219.0
[M-H]- 459.24016 221.5
[M+NH4]+ 478.28126 222.3
[M+K]+ 499.21060 218.0
[M+H-H2O]+ 443.24470 203.7
[M+HCOO]- 505.24564 227.0
[M+CH3COO]- 519.26129 220.9
[M+Na-2H]- 481.22211 211.4
[M]+ 460.24689 211.7
[M]- 460.24799 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.