CID 3051352

67427-87-6

Structural Information

Molecular Formula
C14H22N4O2
SMILES
CC1=CC(=C(C=C1)N(CC(CN=C(N)N)O)C(=O)C)C
InChI
InChI=1S/C14H22N4O2/c1-9-4-5-13(10(2)6-9)18(11(3)19)8-12(20)7-17-14(15)16/h4-6,12,20H,7-8H2,1-3H3,(H4,15,16,17)
InChIKey
WHRPNMDNHCDPRH-UHFFFAOYSA-N
Compound name
N-[3-(diaminomethylideneamino)-2-hydroxypropyl]-N-(2,4-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1743 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.181576 169.0
[M+Na]+ 301.163518 172.6
[M-H]- 277.167024 172.9
[M+NH4]+ 296.208123 183.9
[M+K]+ 317.137458 172.1
[M+H-H2O]+ 261.171560 161.0
[M+HCOO]- 323.172501 192.9
[M+CH3COO]- 337.188151 215.2
[M+Na-2H]- 299.148966 167.6
[M]+ 278.17375142 167.0
[M]- 278.17484858 167.0
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.