CID 490616

1-naphthalenesulfonamide, n-[(1s)-2-[(3as,6s,6ar)-4-(cyclopropylcarbonyl)hexahydro-6-methyl-5-oxopyrrolo[3,2-b]pyrrol-1(2h)-yl]-1-methyl-2-oxoethyl]-5-(dimethylamino)-

Structural Information

Molecular Formula
C26H32N4O5S
SMILES
C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@H](C)NS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C)N(C1=O)C(=O)C5CC5
InChI
InChI=1S/C26H32N4O5S/c1-15-23-21(30(24(15)31)26(33)17-11-12-17)13-14-29(23)25(32)16(2)27-36(34,35)22-10-6-7-18-19(22)8-5-9-20(18)28(3)4/h5-10,15-17,21,23,27H,11-14H2,1-4H3/t15-,16-,21-,23+/m0/s1
InChIKey
DZSLJBTWCVDOIS-MTDBSEBISA-N
Compound name
N-[(2S)-1-[(3aS,6S,6aR)-4-(cyclopropanecarbonyl)-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxopropan-2-yl]-5-(dimethylamino)naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

512.20935 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.21663 216.9
[M+Na]+ 535.19857 222.0
[M-H]- 511.20207 226.4
[M+NH4]+ 530.24317 221.8
[M+K]+ 551.17251 217.2
[M+H-H2O]+ 495.20661 212.1
[M+HCOO]- 557.20755 226.1
[M+CH3COO]- 571.22320 250.6
[M+Na-2H]- 533.18402 212.3
[M]+ 512.20880 223.4
[M]- 512.20990 223.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.