CID 16228053

923242-81-3

Structural Information

Molecular Formula
C13H19N3O
SMILES
CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN
InChI
InChI=1S/C13H19N3O/c1-15-6-8-16(9-7-15)13(17)12-4-2-11(10-14)3-5-12/h2-5H,6-10,14H2,1H3
InChIKey
ZWBSRIFTHJGMJG-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)phenyl]-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

233.15282 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16010 156.0
[M+Na]+ 256.14204 161.1
[M-H]- 232.14554 158.8
[M+NH4]+ 251.18664 170.4
[M+K]+ 272.11598 157.7
[M+H-H2O]+ 216.15008 147.1
[M+HCOO]- 278.15102 173.6
[M+CH3COO]- 292.16667 193.3
[M+Na-2H]- 254.12749 158.4
[M]+ 233.15227 150.6
[M]- 233.15337 150.6
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

patents stripe