CID 3055414

72412-38-5

Structural Information

Molecular Formula
C17H23N5O2
SMILES
CCN(CCNC(=O)C1=CN=C(N=C1OC)N)CC2=CC=CC=C2
InChI
InChI=1S/C17H23N5O2/c1-3-22(12-13-7-5-4-6-8-13)10-9-19-15(23)14-11-20-17(18)21-16(14)24-2/h4-8,11H,3,9-10,12H2,1-2H3,(H,19,23)(H2,18,20,21)
InChIKey
ZOTASJSDCXLHRR-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[benzyl(ethyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.18518 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.19246 179.1
[M+Na]+ 352.17440 183.6
[M-H]- 328.17790 183.7
[M+NH4]+ 347.21900 189.5
[M+K]+ 368.14834 180.7
[M+H-H2O]+ 312.18244 168.2
[M+HCOO]- 374.18338 202.4
[M+CH3COO]- 388.19903 220.0
[M+Na-2H]- 350.15985 183.0
[M]+ 329.18463 180.6
[M]- 329.18573 180.6
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.