CID 9796290

Nvp-dpp728

Structural Information

Molecular Formula
C15H18N6O
SMILES
C1C[C@H](N(C1)C(=O)CNCCNC2=NC=C(C=C2)C#N)C#N
InChI
InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1
InChIKey
VFFZWMWTUSXDCB-ZDUSSCGKSA-N
Compound name
6-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

38
References

3535
Patents

298.1542 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16148 172.4
[M+Na]+ 321.14342 178.7
[M-H]- 297.14692 173.5
[M+NH4]+ 316.18802 180.2
[M+K]+ 337.11736 174.3
[M+H-H2O]+ 281.15146 153.6
[M+HCOO]- 343.15240 182.3
[M+CH3COO]- 357.16805 230.7
[M+Na-2H]- 319.12887 171.6
[M]+ 298.15365 161.8
[M]- 298.15475 161.8
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

patents stripe