CID 508479

Schembl7083122

Structural Information

Molecular Formula
C18H22N6O
SMILES
CC1=NC(=C(C=C1)C(=O)NCCN(C)C)NC2=CC3=C(C=C2)C=NN3
InChI
InChI=1S/C18H22N6O/c1-12-4-7-15(18(25)19-8-9-24(2)3)17(21-12)22-14-6-5-13-11-20-23-16(13)10-14/h4-7,10-11H,8-9H2,1-3H3,(H,19,25)(H,20,23)(H,21,22)
InChIKey
QSVPXNXDIQHITC-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-2-(1H-indazol-6-ylamino)-6-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

338.18552 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19280 179.6
[M+Na]+ 361.17474 186.4
[M-H]- 337.17824 184.1
[M+NH4]+ 356.21934 191.1
[M+K]+ 377.14868 181.5
[M+H-H2O]+ 321.18278 169.2
[M+HCOO]- 383.18372 202.2
[M+CH3COO]- 397.19937 220.2
[M+Na-2H]- 359.16019 184.7
[M]+ 338.18497 181.3
[M]- 338.18607 181.3
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